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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP003216

[(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5R)-2-[[(8S,9S,10R,13S,14S,16S,17R)-17-[(2S,3S,6S)-3,7-dihydroxy-6-methylheptan-2-yl]-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-16-yl]oxy]-3,5-dihydroxyoxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate

Formula: C40H64O14  |  Mol. Weight: 768.90 g/mol

IUPAC: [(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5R)-2-[[(8S,9S,10R,13S,14S,16S,17R)-17-[(2S,3S,6S)-3,7-dihydroxy-6-methylheptan-2-yl]-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-16-yl]oxy]-3,5-dihydroxyoxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate

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Overview

Molecular Formula C40H64O14
Molecular Weight 768.90 g/mol
Canonical SMILES CC(CCC(C(C)C1C(CC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)OC5C(C(C(CO5)O)OC6C(C(C(C(O6)COC(=O)C)O)O)O)O)O)CO

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy