CAS RN: 88852-12-4
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OPENEYE Name:
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SYSTEMATIC NAME:
MOLECULAR FORMULA: C58H96O35
MOLECULAR WEIGHT: 1353.36184
SMILES: CCCC[C@H](C)C[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCC/C=C/C(=O)O)O)O.C([C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H](
CAS RN: 93129-94-3
CAS Name: (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5S)-5-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol hydrate
OPENEYE Name: (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R,4S)-4-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol hydrate
IUPAC Name: (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5S)-5-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol hydrate
SYSTEMATIC NAME: (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R,5S)-6-methyl-5-oxidanyl-heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol hydrate
MOLECULAR FORMULA: C27H46O4
MOLECULAR WEIGHT: 434.65174
SMILES: C[C@H](CC[C@@H](C(C)C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C.O
CAS RN: 27304-13-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H4Cl8O
MOLECULAR WEIGHT: 423.76216
SMILES: C12C(C(C3(C1O3)Cl)Cl)[C@]4(C(=C([C@@]2(C4(Cl)Cl)Cl)Cl)Cl)Cl
CAS RN: 72-20-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H8Cl6O
MOLECULAR WEIGHT: 380.90932
SMILES: C1[C@H]2[C@@H]3[C@H]([C@H]1C4C2O4)[C@@]5(C(=C([C@@]3(C5(Cl)Cl)Cl)Cl)Cl)Cl
CAS RN: 37636-51-4
CAS Name: (2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[[(2S,3R,5S,6R)-3-amino-5-hydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl]oxy]oxane-3,4-diol
OPENEYE Name: (2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2S,3R,5S,6R)-3-amino-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-6-hydroxy-cyclohexoxy]-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-tetrahydropyr
IUPAC Name: (2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2S,3R,5S,6R)-3-amino-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol
SYSTEMATIC NAME: (2S,3S,4R,5R,6R)-2-(aminomethyl)-5-azanyl-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-bis(azanyl)-2-[(2S,3R,5S,6R)-3-azanyl-6-(hydroxymethyl)-5-oxidanyl-oxan-2-yl]oxy-6-oxidanyl-cyclohexyl]oxy-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]oxy-oxane-3,4-diol
MOLECULAR FORMULA: C23H45N5O13
MOLECULAR WEIGHT: 599.6291
SMILES: C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H](C[C@@H]([C@H](O2)CO)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)N)O)O)N
CAS RN: 103531-05-1
CAS Name: N-[(1S,2R,3R,4R,5S,6R)-4-amino-3-[[(2R,3R,6S)-3-amino-6-[(1S)-1-aminoethyl]-2-oxanyl]oxy]-2,5-dihydroxy-6-methoxycyclohexyl]-2-(aminomethylideneamino)-N-methylacetamide
OPENEYE Name: N-[(1S,2R,3R,4R,5S,6R)-4-amino-3-[(2R,3R,6S)-3-amino-6-[(1S)-1-aminoethyl]tetrahydropyran-2-yl]oxy-2,5-dihydroxy-6-methoxy-cyclohexyl]-2-(aminomethyleneamino)-N-methyl-acetamide
IUPAC Name: N-[(1S,2R,3R,4R,5S,6R)-4-amino-3-[(2R,3R,6S)-3-amino-6-[(1S)-1-aminoethyl]oxan-2-yl]oxy-2,5-dihydroxy-6-methoxycyclohexyl]-2-(aminomethylideneamino)-N-methylacetamide
SYSTEMATIC NAME: N-[(1S,2R,3S,4R,5R,6R)-4-azanyl-5-[(2R,3R,6S)-3-azanyl-6-[(1S)-1-azanylethyl]oxan-2-yl]oxy-2-methoxy-3,6-bis(oxidanyl)cyclohexyl]-2-(azanylmethylideneamino)-N-methyl-ethanamide
MOLECULAR FORMULA: C18H36N6O6
MOLECULAR WEIGHT: 432.51504
SMILES: C[C@@H]([C@@H]1CC[C@H]([C@H](O1)O[C@@H]2[C@@H]([C@@H]([C@@H]([C@H]([C@H]2O)N(C)C(=O)CN=CN)OC)O)N)N)N
CAS RN: 73196-97-1
CAS Name: N-[(1S,2R,3R,4S,5S,6R)-4-amino-3-[[(2R,3R,6S)-3-amino-6-[(1S)-1-aminoethyl]-2-oxanyl]oxy]-2,5-dihydroxy-6-methoxycyclohexyl]-2-(aminomethylideneamino)-N-methylacetamide
OPENEYE Name: N-[(1S,2R,3R,4S,5S,6R)-4-amino-3-[(2R,3R,6S)-3-amino-6-[(1S)-1-aminoethyl]tetrahydropyran-2-yl]oxy-2,5-dihydroxy-6-methoxy-cyclohexyl]-2-(aminomethyleneamino)-N-methyl-acetamide
IUPAC Name: N-[(1S,2R,3R,4S,5S,6R)-4-amino-3-[(2R,3R,6S)-3-amino-6-[(1S)-1-aminoethyl]oxan-2-yl]oxy-2,5-dihydroxy-6-methoxycyclohexyl]-2-(aminomethylideneamino)-N-methylacetamide
SYSTEMATIC NAME: N-[(1S,2R,3S,4S,5R,6R)-4-azanyl-5-[(2R,3R,6S)-3-azanyl-6-[(1S)-1-azanylethyl]oxan-2-yl]oxy-2-methoxy-3,6-bis(oxidanyl)cyclohexyl]-2-(azanylmethylideneamino)-N-methyl-ethanamide
MOLECULAR FORMULA: C18H36N6O6
MOLECULAR WEIGHT: 432.51504
SMILES: C[C@@H]([C@@H]1CC[C@H]([C@H](O1)O[C@@H]2[C@H]([C@@H]([C@@H]([C@H]([C@H]2O)N(C)C(=O)CN=CN)OC)O)N)N)N
CAS RN: 51746-09-9
CAS Name: (2S)-2-[[[[(2S)-3-[(5R)-2-amino-4,5-dihydro-1H-imidazol-5-yl]-1-[[(2S,3R,5S,6S)-4-[[(2R,3S,5S,6R)-3,5-diamino-6-methyl-2-oxanyl]oxy]-2,3,5,6-tetrahydroxycyclohexyl]amino]-1-oxopropan-2-yl]amino]-oxomethyl]amino]-4-methylpentanoic acid
OPENEYE Name: (2S)-2-[[(1S)-1-[[(5R)-2-amino-4,5-dihydro-1H-imidazol-5-yl]methyl]-2-[[(2S,3R,5S,6S)-4-[(2R,3S,5S,6R)-3,5-diamino-6-methyl-tetrahydropyran-2-yl]oxy-2,3,5,6-tetrahydroxy-cyclohexyl]amino]-2-oxo-ethyl]carbamoylamino]-4-methyl-pentanoic acid
IUPAC Name: (2S)-2-[[(2S)-3-[(5R)-2-amino-4,5-dihydro-1H-imidazol-5-yl]-1-[[(2S,3R,5S,6S)-4-[(2R,3S,5S,6R)-3,5-diamino-6-methyloxan-2-yl]oxy-2,3,5,6-tetrahydroxycyclohexyl]amino]-1-oxopropan-2-yl]carbamoylamino]-4-methylpentanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-3-[(5R)-2-azanyl-4,5-dihydro-1H-imidazol-5-yl]-1-[[(2S,3R,5S,6S)-4-[(2R,3S,5S,6R)-3,5-bis(azanyl)-6-methyl-oxan-2-yl]oxy-2,3,5,6-tetrakis(oxidanyl)cyclohexyl]amino]-1-oxidanylidene-propan-2-yl]carbamoylamino]-4-methyl-pentanoic acid
MOLECULAR FORMULA: C25H46N8O10
MOLECULAR WEIGHT: 618.68034
SMILES: C[C@@H]1[C@H](C[C@@H]([C@H](O1)OC2[C@@H]([C@H](C([C@@H]([C@@H]2O)O)NC(=O)[C@H](C[C@@H]3CN=C(N3)N)NC(=O)N[C@@H](CC(C)C)C(=O)O)O)O)N)N
CAS RN: 18607-76-6
CAS Name: (3S,8S,9R,10R,12R,13R,14R,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthrene-3,8,12,14,17-pentol
OPENEYE Name: (3S,8S,9R,10R,12R,13R,14R,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthrene-3,8,12,14,17-pentol
IUPAC Name: (3S,8S,9R,10R,12R,13R,14R,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthrene-3,8,12,14,17-pentol
SYSTEMATIC NAME: (3S,8S,9R,10R,12R,13R,14R,17S)-10,13-dimethyl-17-[(1S)-1-oxidanylethyl]-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthrene-3,8,12,14,17-pentol
MOLECULAR FORMULA: C21H34O6
MOLECULAR WEIGHT: 382.49106
SMILES: C[C@@H]([C@@]1(CC[C@]2([C@@]1([C@@H](C[C@H]3[C@]2(CC=C4[C@@]3(CC[C@@H](C4)O)C)O)O)C)O)O)O
CAS RN: 51846-98-1
CAS Name: (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[[(2R,3R,4R,5S,6R)-3-amino-6-[(1R)-1-aminoethyl]-4,5-dihydroxy-2-oxanyl]oxy]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
OPENEYE Name: (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,4R,5S,6R)-3-amino-6-[(1R)-1-aminoethyl]-4,5-dihydroxy-tetrahydropyran-2-yl]oxy-2-hydroxy-cyclohexoxy]-5-methyl-4-(methylamino)tetrahydropyran-3,5-diol
IUPAC Name: (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,4R,5S,6R)-3-amino-6-[(1R)-1-aminoethyl]-4,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
SYSTEMATIC NAME: (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-bis(azanyl)-3-[(2R,3R,4R,5S,6R)-3-azanyl-6-[(1R)-1-azanylethyl]-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-oxidanyl-cyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
MOLECULAR FORMULA: C20H41N5O9
MOLECULAR WEIGHT: 495.56764
SMILES: C[C@H]([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)N)N)N)O)O)N
CAS RN: 55715-66-7
CAS Name: (2R,3R,4S,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-hydroxycyclohexyl]oxyoxane-3,4,5-triol
OPENEYE Name: (2R,3R,4S,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-hydroxy-cyclohexoxy]tetrahydropyran-3,4,5-triol
IUPAC Name: (2R,3R,4S,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxyoxane-3,4,5-triol
SYSTEMATIC NAME: (2R,3R,4S,5R)-2-[(1S,2S,3R,4S,6R)-4,6-bis(azanyl)-3-[(2S,3R,4R,5S,6R)-3-azanyl-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-oxidanyl-cyclohexyl]oxyoxane-3,4,5-triol
MOLECULAR FORMULA: C17H33N3O11
MOLECULAR WEIGHT: 455.45742
SMILES: C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)N)N
CAS RN: 19885-10-0
CAS Name: (5R,8S,9S,10S,11S,14R)-11-hydroxy-4,4,8,10,14-pentamethyl-17-[(4S,5R)-4,5,6-trihydroxy-6-methylheptan-2-yl]-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (5R,8S,9S,10S,11S,14R)-11-hydroxy-4,4,8,10,14-pentamethyl-17-[(3S,4R)-3,4,5-trihydroxy-1,5-dimethyl-hexyl]-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (5R,8S,9S,10S,11S,14R)-11-hydroxy-4,4,8,10,14-pentamethyl-17-[(4S,5R)-4,5,6-trihydroxy-6-methylheptan-2-yl]-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (5R,8S,9S,10S,11S,14R)-4,4,8,10,14-pentamethyl-17-[(4S,5R)-6-methyl-4,5,6-tris(oxidanyl)heptan-2-yl]-11-oxidanyl-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C30H50O5
MOLECULAR WEIGHT: 490.715
SMILES: CC(C[C@@H]([C@H](C(C)(C)O)O)O)C1=C2C[C@@H]([C@H]3[C@]4(CCC(=O)C([C@@H]4CC[C@@]3([C@]2(CC1)C)C)(C)C)C)O
CAS RN: 65892-76-4
CAS Name: (3S,4S,4aR,6aR,6bS,8aR,9R,14aR,14bR)-4-(hydroxymethyl)-9-methoxy-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,13,14,14a-tetradecahydropicen-3-ol
OPENEYE Name: (3S,4S,4aR,6aR,6bS,8aR,9R,14aR,14bR)-4-(hydroxymethyl)-9-methoxy-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,13,14,14a-tetradecahydropicen-3-ol
IUPAC Name: (3S,4S,4aR,6aR,6bS,8aR,9R,14aR,14bR)-4-(hydroxymethyl)-9-methoxy-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,13,14,14a-tetradecahydropicen-3-ol
SYSTEMATIC NAME: (3S,4S,4aR,6aR,6bS,8aR,9R,14aR,14bR)-4-(hydroxymethyl)-9-methoxy-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,13,14,14a-tetradecahydropicen-3-ol
MOLECULAR FORMULA: C31H52O3
MOLECULAR WEIGHT: 472.74278
SMILES: C[C@]12CC[C@@H]([C@]([C@@H]1CC[C@@]3([C@@H]2CCC4=C5CC(C[C@H]([C@@]5(CC[C@]43C)C)OC)(C)C)C)(C)CO)O
CAS RN: 104033-83-2
CAS Name: (3S,4S,4aR,6aR,6bS,8aR,9R,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,13,14,14a-tetradecahydropicene-3,9-diol
OPENEYE Name: (3S,4S,4aR,6aR,6bS,8aR,9R,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,13,14,14a-tetradecahydropicene-3,9-diol
IUPAC Name: (3S,4S,4aR,6aR,6bS,8aR,9R,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,13,14,14a-tetradecahydropicene-3,9-diol
SYSTEMATIC NAME: (3S,4S,4aR,6aR,6bS,8aR,9R,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,13,14,14a-tetradecahydropicene-3,9-diol
MOLECULAR FORMULA: C30H50O3
MOLECULAR WEIGHT: 458.7162
SMILES: C[C@]12CC[C@@H]([C@]([C@@H]1CC[C@@]3([C@@H]2CCC4=C5CC(C[C@H]([C@@]5(CC[C@]43C)C)O)(C)C)C)(C)CO)O
CAS RN: 85414-26-2
CAS Name: (2S,3S,5R,6R)-3-[2-[[3-[[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]amino]-1-oxopropyl]amino]ethylthio]-6-(2-hydroxypropan-2-yl)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
OPENEYE Name: (2S,3S,5R,6R)-3-[2-[3-[[(2R)-2,4-dihydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-6-(1-hydroxy-1-methyl-ethyl)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC Name: (2S,3S,5R,6R)-3-[2-[3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-6-(2-hydroxypropan-2-yl)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SYSTEMATIC NAME: (2S,3S,5R,6R)-3-[2-[3-[[(2R)-3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]propanoylamino]ethylsulfanyl]-7-oxidanylidene-6-(2-oxidanylpropan-2-yl)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
MOLECULAR FORMULA: C21H35N3O8S
MOLECULAR WEIGHT: 489.5829
SMILES: CC(C)(CO)[C@H](C(=O)NCCC(=O)NCCS[C@H]1C[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)O)C(C)(C)O)O
CAS RN: 85414-25-1
CAS Name: (2S,3S,5R,6R)-3-[2-[[3-[[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]amino]-1-oxopropyl]amino]ethylthio]-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
OPENEYE Name: (2S,3S,5R,6R)-3-[2-[3-[[(2R)-2,4-dihydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC Name: (2S,3S,5R,6R)-3-[2-[3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SYSTEMATIC NAME: (2S,3S,5R,6R)-3-[2-[3-[[(2R)-3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]propanoylamino]ethylsulfanyl]-6-(1-hydroxyethyl)-7-oxidanylidene-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
MOLECULAR FORMULA: C20H33N3O8S
MOLECULAR WEIGHT: 475.55632
SMILES: CC([C@H]1[C@H]2C[C@@H]([C@@H](N2C1=O)C(=O)O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO)O)O
CAS RN: 82510-13-2
CAS Name: (5R,6R)-3-[2-[[3-[[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]amino]-1-oxopropyl]amino]ethylthio]-6-[(1S)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
OPENEYE Name: (5R,6R)-3-[2-[3-[[(2R)-2,4-dihydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-6-[(1S)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
IUPAC Name: (5R,6R)-3-[2-[3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-6-[(1S)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
SYSTEMATIC NAME: (5R,6R)-3-[2-[3-[[(2R)-3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]propanoylamino]ethylsulfanyl]-6-[(1S)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C20H31N3O8S
MOLECULAR WEIGHT: 473.54044
SMILES: C[C@@H]([C@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO)O)O
CAS RN: 33204-37-4
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MOLECULAR FORMULA: C22H30O6
MOLECULAR WEIGHT: 390.47
SMILES: C[C@@H]1C=C(C(=O)[C@]2([C@H]1C[C@@H]3[C@@]4([C@@H]2[C@H]5[C@H](C([C@@H]4CC(=O)O3)C)OCO5)C)C)OC
CAS RN: 38971-41-4
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MOLECULAR FORMULA: C39H62O12
MOLECULAR WEIGHT: 722.90238
SMILES: C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5([C@@H](C[C@@H](C6)O)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)C)O)O)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)C)C)C)OC1
CAS RN: 35334-40-8
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MOLECULAR FORMULA: C22H30O7
MOLECULAR WEIGHT: 406.4694
SMILES: C[C@@H]1C=C(C(=O)[C@]2([C@H]1C[C@@H]3[C@@]4([C@@H]2[C@H]5[C@H]([C@@](C4CC(=O)O3)(C)O)OCO5)C)C)OC
CAS RN: 124512-46-5
CAS Name: (2S)-N-[(4S,4aS,8S,8aR)-6-[(2S)-3-hydroxy-2-methoxypropyl]-8-methoxy-7,7-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-4-yl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylene-2-oxanyl]acetamide
OPENEYE Name: (2S)-N-[(4S,4aS,8S,8aR)-6-[(2S)-3-hydroxy-2-methoxy-propyl]-8-methoxy-7,7-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-4-yl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylene-tetrahydropyran-2-yl]acetamide
IUPAC Name: (2S)-N-[(4S,4aS,8S,8aR)-6-[(2S)-3-hydroxy-2-methoxypropyl]-8-methoxy-7,7-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-4-yl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide
SYSTEMATIC NAME: (2S)-N-[(4S,4aS,8S,8aR)-8-methoxy-6-[(2S)-2-methoxy-3-oxidanyl-propyl]-7,7-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-4-yl]-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylidene-oxan-2-yl]-2-oxidanyl-ethanamide
MOLECULAR FORMULA: C25H43NO10
MOLECULAR WEIGHT: 517.60962
SMILES: C[C@H]1[C@H](O[C@](CC1=C)([C@@H](C(=O)N[C@@H]2[C@@H]3[C@@H]([C@H](C(C(O3)C[C@@H](CO)OC)(C)C)OC)OCO2)O)OC)C
CAS RN: 115185-92-7
CAS Name: (2S)-N-[(4S,4aS,8S,8aR)-6-[(2S)-2,3-dihydroxypropyl]-8-methoxy-7,7-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-4-yl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylene-2-oxanyl]acetamide
OPENEYE Name: (2S)-N-[(4S,4aS,8S,8aR)-6-[(2S)-2,3-dihydroxypropyl]-8-methoxy-7,7-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-4-yl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylene-tetrahydropyran-2-yl]acetamide
IUPAC Name: (2S)-N-[(4S,4aS,8S,8aR)-6-[(2S)-2,3-dihydroxypropyl]-8-methoxy-7,7-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-4-yl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide
SYSTEMATIC NAME: (2S)-N-[(4S,4aS,8S,8aR)-6-[(2S)-2,3-bis(oxidanyl)propyl]-8-methoxy-7,7-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-4-yl]-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylidene-oxan-2-yl]-2-oxidanyl-ethanamide
MOLECULAR FORMULA: C24H41NO10
MOLECULAR WEIGHT: 503.58304
SMILES: C[C@H]1[C@H](O[C@](CC1=C)([C@@H](C(=O)N[C@@H]2[C@@H]3[C@@H]([C@H](C(C(O3)C[C@@H](CO)O)(C)C)OC)OCO2)O)OC)C
CAS RN: 94426-01-4
CAS Name: acetic acid [(2R,6R)-6-[(7R,8R,9R,10R,13R,14R,17R)-7-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptyl] ester
OPENEYE Name: [(2R,6R)-6-[(7R,8R,9R,10R,13R,14R,17R)-7-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-heptyl] acetate
IUPAC Name: [(2R,6R)-6-[(7R,8R,9R,10R,13R,14R,17R)-7-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptyl] acetate
SYSTEMATIC NAME: [(2R,6R)-6-[(7R,8R,9R,10R,13R,14R,17R)-7-[(2R,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-10,13-dimethyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-heptyl] ethanoate
MOLECULAR FORMULA: C37H59NO9
MOLECULAR WEIGHT: 661.86566
SMILES: C[C@H](CCC[C@@H](C)[C@H]1CC[C@H]2[C@@]1(CC[C@@H]3[C@@H]2[C@@H](CC4=CC(=O)CC[C@]34C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)NC(=O)C)C)COC(=O)C
CAS RN: 29565-35-3
CAS Name: 5-[(8R,9S,10S,13S,14R,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-pyranone
OPENEYE Name: 5-[(8R,9S,10S,13S,14R,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one
IUPAC Name: 5-[(8R,9S,10S,13S,14R,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one
SYSTEMATIC NAME: 5-[(8R,9S,10S,13S,14R,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one
MOLECULAR FORMULA: C24H34O2
MOLECULAR WEIGHT: 354.52556
SMILES: C[C@]12CC[C@H]3[C@H]([C@H]1CC[C@@H]2C4=COC(=O)C=C4)CCC5[C@@]3(CCCC5)C
CAS RN: 508-44-1
CAS Name: (5S,6S)-4,7-dioxadispiro[4.0.4^{6}.2^{5}]dodeca-1,9-diene-3,8-dione
OPENEYE Name: (5S,6S)-4,7-dioxadispiro[4.0.4^{6}.2^{5}]dodeca-1,9-diene-3,8-dione
IUPAC Name: (5S,6S)-4,7-dioxadispiro[4.0.4^{6}.2^{5}]dodeca-1,9-diene-3,8-dione
SYSTEMATIC NAME: (5S,6S)-4,7-dioxadispiro[4.0.4^{6}.2^{5}]dodeca-1,9-diene-3,8-dione
MOLECULAR FORMULA: C10H8O4
MOLECULAR WEIGHT: 192.16812
SMILES: C1C[C@@]2([C@@]13C=CC(=O)O3)C=CC(=O)O2
CAS RN: 104715-93-7
CAS Name:
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MOLECULAR FORMULA: C24H32O9
MOLECULAR WEIGHT: 464.50548
SMILES: C[C@H]1C(=O)O[C@@H]/2[C@@]1([C@H]([C@@H]3[C@](C=CC(=O)[C@@]3(C)O)([C@@H](CC/C(=C2)/C)OC(=O)C)C)OC(=O)C)O
CAS RN: 60748-39-2
CAS Name: carbamic acid [(3aS,4R,9R,10aS)-2-amino-5,10,10-trihydroxy-6-imino-9-sulfooxy-3a,4,8,9-tetrahydro-3H-pyrrolo[1,2-c]purin-4-yl]methyl ester
OPENEYE Name: [(3aS,4R,9R,10aS)-2-amino-5,10,10-trihydroxy-6-imino-9-sulfooxy-3a,4,8,9-tetrahydro-3H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate
IUPAC Name: [(3aS,4R,9R,10aS)-2-amino-5,10,10-trihydroxy-6-imino-9-sulfooxy-3a,4,8,9-tetrahydro-3H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate
SYSTEMATIC NAME: [(3aS,4R,9R,10aS)-2-azanyl-6-azanylidene-5,10,10-tris(oxidanyl)-9-sulfooxy-3a,4,8,9-tetrahydro-3H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate
MOLECULAR FORMULA: C10H17N7O9S
MOLECULAR WEIGHT: 411.34848
SMILES: C1[C@H](C([C@@]23N1C(=N)N([C@H]([C@@H]2NC(=N3)N)COC(=O)N)O)(O)O)OS(=O)(=O)O
CAS RN: 77327-05-0
CAS Name: (2S)-N-[(2R)-1-[[(3S,6S,8S,12S,13R,16S,17R,20S,23S)-13-butan-2-yl-12-hydroxy-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3-(2-methylpropyl)-2,5,7,10,15,19,22-heptaoxo-8-propan-2-yl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan-16-yl]amino]-4-met
OPENEYE Name: (2S)-N-[(1R)-1-[[(3S,6S,8S,12S,13R,16S,17R,20S,23S)-12-hydroxy-3-isobutyl-8-isopropyl-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-2,5,7,10,15,19,22-heptaoxo-13-sec-butyl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan-16-yl]carbamoyl]-3-methyl-but
IUPAC Name: (2S)-N-[(2R)-1-[[(3S,6S,8S,12S,13R,16S,17R,20S,23S)-13-butan-2-yl-12-hydroxy-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3-(2-methylpropyl)-2,5,7,10,15,19,22-heptaoxo-8-propan-2-yl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan-16-yl]amino]-4-met
SYSTEMATIC NAME: (2S)-N-[(2R)-1-[[(3S,6S,8S,12S,13R,16S,17R,20S,23S)-13-butan-2-yl-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3-(2-methylpropyl)-12-oxidanyl-2,5,7,10,15,19,22-heptakis(oxidanylidene)-8-propan-2-yl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan-16
MOLECULAR FORMULA: C57H89N7O15
MOLECULAR WEIGHT: 1112.35446
SMILES: CCC(C)[C@@H]1[C@H](CC(=O)O[C@H](C(=O)[C@@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)O[C@@H]([C@@H](C(=O)N1)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H]3CCCN3C(=O)[C@H](C)O)C)CC4=CC=C(C=C4)OC)C)CC(C)C)C)C(C)C)O
CAS RN: 20098-89-9
CAS Name:
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SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H42O
MOLECULAR WEIGHT: 358.60038
SMILES: C/C/1=C/C[C@H]2[C@H](CC[C@@]2(C[C@H]3[C@@H]1CC[C@@]3(C)O)C)[C@@H](C)CCC=C(C)C
CAS RN: 15291-78-8
CAS Name:
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SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H24O10
MOLECULAR WEIGHT: 424.39856
SMILES: C[C@H]1[C@H]2[C@H](C(C34[C@]25C(=O)O[C@@H]3[C@@H]([C@H](C46[C@H](O5)OC(=O)C6O)C(C)(C)C)O)O)OC1=O
CAS RN: 53823-09-9
CAS Name: (10S)-1-hydroxy-3-methyl-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-8-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-10H-anthracen-9-one
OPENEYE Name: (10S)-1-hydroxy-3-methyl-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-10H-anthracen-9-one
IUPAC Name: (10S)-1-hydroxy-3-methyl-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10H-anthracen-9-one
SYSTEMATIC NAME: (10S)-10-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-8-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-methyl-1-oxidanyl-10H-anthracen-9-one
MOLECULAR FORMULA: C27H32O13
MOLECULAR WEIGHT: 564.53518
SMILES: CC1=CC(=C2C(=C1)[C@H](C3=C(C2=O)C(=CC=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O
CAS RN: 53861-35-1
CAS Name: (10R)-1-hydroxy-3-methyl-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-8-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-10H-anthracen-9-one
OPENEYE Name: (10R)-1-hydroxy-3-methyl-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-10H-anthracen-9-one
IUPAC Name: (10R)-1-hydroxy-3-methyl-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10H-anthracen-9-one
SYSTEMATIC NAME: (10R)-10-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-8-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-methyl-1-oxidanyl-10H-anthracen-9-one
MOLECULAR FORMULA: C27H32O13
MOLECULAR WEIGHT: 564.53518
SMILES: CC1=CC(=C2C(=C1)[C@@H](C3=C(C2=O)C(=CC=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O
CAS RN: 37271-17-3
CAS Name: (9R)-4-hydroxy-9-[(9S)-4-hydroxy-2-(hydroxymethyl)-10-oxo-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-9H-anthracen-9-yl]-10-oxo-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-9H-anthracene-2-carboxylic acid
OPENEYE Name: (9R)-4-hydroxy-9-[(9S)-4-hydroxy-2-(hydroxymethyl)-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-9H-anthracen-9-yl]-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-9H-anthracene
IUPAC Name: (9R)-4-hydroxy-9-[(9S)-4-hydroxy-2-(hydroxymethyl)-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracene-2-carboxylic acid
SYSTEMATIC NAME: (9R)-9-[(9S)-2-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-10-oxidanylidene-9H-anthracen-9-yl]-5-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-10-oxidanylidene-9H-an
MOLECULAR FORMULA: C42H40O19
MOLECULAR WEIGHT: 848.7556
SMILES: C1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C4=C(C=C(C=C4[C@H]2[C@@H]5C6=C(C(=CC=C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)C(=O)O)CO)O
CAS RN: 37271-16-2
CAS Name: (9R)-4-hydroxy-9-[(9R)-4-hydroxy-2-(hydroxymethyl)-10-oxo-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-9H-anthracen-9-yl]-10-oxo-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-9H-anthracene-2-carboxylic acid
OPENEYE Name: (9R)-4-hydroxy-9-[(9R)-4-hydroxy-2-(hydroxymethyl)-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-9H-anthracen-9-yl]-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-9H-anthracene
IUPAC Name: (9R)-4-hydroxy-9-[(9R)-4-hydroxy-2-(hydroxymethyl)-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracene-2-carboxylic acid
SYSTEMATIC NAME: (9R)-9-[(9R)-2-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-10-oxidanylidene-9H-anthracen-9-yl]-5-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-10-oxidanylidene-9H-an
MOLECULAR FORMULA: C42H40O19
MOLECULAR WEIGHT: 848.7556
SMILES: C1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C4=C(C=C(C=C4[C@@H]2[C@@H]5C6=C(C(=CC=C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)C(=O)O)CO)O
CAS RN: 85146-09-4
CAS Name: (2E,4Z,6E)-8-(2-acetamido-1-oxo-3-phenylbutoxy)-8-(2-methyl-2-oxiranyl)octa-2,4,6-trienoic acid
OPENEYE Name: (2E,4Z,6E)-8-(2-acetamido-3-phenyl-butanoyl)oxy-8-(2-methyloxiran-2-yl)octa-2,4,6-trienoic acid
IUPAC Name: (2E,4Z,6E)-8-(2-acetamido-3-phenylbutanoyl)oxy-8-(2-methyloxiran-2-yl)octa-2,4,6-trienoic acid
SYSTEMATIC NAME: (2E,4Z,6E)-8-(2-acetamido-3-phenyl-butanoyl)oxy-8-(2-methyloxiran-2-yl)octa-2,4,6-trienoic acid
MOLECULAR FORMULA: C23H27NO6
MOLECULAR WEIGHT: 413.46358
SMILES: CC(C1=CC=CC=C1)C(C(=O)OC(/C=C/C=C\C=C\C(=O)O)C2(CO2)C)NC(=O)C
CAS RN: 69935-16-6
CAS Name: 8,18,26,34,36-pentahydroxyhentetracontane-2,6,10,16,20,24,28,32-octone
OPENEYE Name: 8,18,26,34,36-pentahydroxyhentetracontane-2,6,10,16,20,24,28,32-octone
IUPAC Name: 8,18,26,34,36-pentahydroxyhentetracontane-2,6,10,16,20,24,28,32-octone
SYSTEMATIC NAME: 8,18,26,34,36-pentakis(oxidanyl)hentetracontane-2,6,10,16,20,24,28,32-octone
MOLECULAR FORMULA: C41H68O13
MOLECULAR WEIGHT: 768.97082
SMILES: CCCCCC(CC(CC(=O)CCCC(=O)CC(CC(=O)CCCC(=O)CC(CC(=O)CCCCCC(=O)CC(CC(=O)CCCC(=O)C)O)O)O)O)O
CAS RN: 66671-95-2
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MOLECULAR FORMULA: C31H46O10
MOLECULAR WEIGHT: 578.69094
SMILES: C[C@@H]1CC([C@@]23CC([C@@H]([C@H](O2)[C@@H](C)CC[C@@H](C4=CC(=CC=C4)O)OC)C)OC(=O)C[C@@H](OC(=O)C[C@@]1(O3)O)CO)(C)C
CAS RN: 66648-18-8
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MOLECULAR FORMULA: C32H46Br2O10
MOLECULAR WEIGHT: 750.50964
SMILES: C[C@@H]1CC([C@@]23CC([C@@H]([C@H](O2)[C@@H](C)CC[C@@H](C4=CC(=C(C=C4Br)Br)O)OC)C)OC(=O)C[C@@H](OC(=O)C[C@@]1(O3)O)[C@@H](C)O)(C)C
CAS RN: 52659-57-1
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MOLECULAR FORMULA: C32H47BrO10
MOLECULAR WEIGHT: 671.61358
SMILES: C[C@@H]1CC([C@@]23CC([C@@H]([C@H](O2)[C@@H](C)CC[C@@H](C4=C(C=CC(=C4)O)Br)OC)C)OC(=O)C[C@@H](OC(=O)C[C@@]1(O3)O)[C@@H](C)O)(C)C
CAS RN: 7263-26-5
CAS Name: acetic acid [(2R,3R,4S,6S)-6-[[(2R,3S,4S,6S)-6-[[(2R,3S,4S,6R)-6-[[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-16-formyloxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-hydrox
OPENEYE Name: [(2R,3R,4S,6S)-6-[(2R,3S,4S,6S)-6-[(2R,3S,4S,6R)-6-[[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-16-formyloxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxy-2-methyl-tet
IUPAC Name: [(2R,3R,4S,6S)-6-[(2R,3S,4S,6S)-6-[(2R,3S,4S,6R)-6-[[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-16-formyloxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxy-2-methyloxan
SYSTEMATIC NAME: [(2R,3R,4S,6S)-6-[(2R,3S,4S,6S)-6-[(2R,3S,4S,6R)-6-[[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-16-methanoyloxy-10,13-dimethyl-14-oxidanyl-17-(5-oxidanylidene-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-methyl
MOLECULAR FORMULA: C44H66O16
MOLECULAR WEIGHT: 850.98524
SMILES: C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5CC[C@]7([C@@]6(C[C@@H]([C@@H]7C8=CC(=O)OC8)OC=O)O)C)C)C)C)OC(=O)C)O
CAS RN: 149633-99-8
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MOLECULAR FORMULA: C30H31NO9
MOLECULAR WEIGHT: 549.56844
SMILES: CC[C@H](C)[C@H]1C(=O)OC2N1C3=C(C4=C(C=C(C=C24)C)O)C(=O)C5=C(C3=O)C(=CC=C5)O[C@H]6C[C@H]([C@H]([C@@H](O6)C)O)O
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