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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP009422

1-[(1R,3R,8S,9S,10R,13S,14S)-3-hydroxy-1-[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-[(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]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

Formula: C38H58O16  |  Mol. Weight: 770.90 g/mol

IUPAC: 1-[(1R,3R,8S,9S,10R,13S,14S)-3-hydroxy-1-[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-[(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]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

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Overview

Molecular Formula C38H58O16
Molecular Weight 770.90 g/mol
Canonical SMILES CC1C(C(C(C(O1)OC2C(C(C(OC2OC3CC(CC4=CCC5C(C34C)CCC6(C5CC=C6C(=O)C)C)O)CO)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