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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP009423

[(2R,3R,4S,5R,6R)-6-[[(1R,3R,8S,9S,10R,13S,14S)-17-acetyl-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-1-yl]oxy]-3-hydroxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]methyl acetate

Formula: C40H60O17  |  Mol. Weight: 812.90 g/mol

IUPAC: [(2R,3R,4S,5R,6R)-6-[[(1R,3R,8S,9S,10R,13S,14S)-17-acetyl-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-1-yl]oxy]-3-hydroxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]methyl acetate

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Overview

Molecular Formula C40H60O17
Molecular Weight 812.90 g/mol
Canonical SMILES CC1C(C(C(C(O1)OC2C(C(C(OC2OC3CC(CC4=CCC5C(C34C)CCC6(C5CC=C6C(=O)C)C)O)COC(=O)C)O)OC7C(C(C(CO7)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy