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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP000079

CID 10009993

Formula: C36H50O14  |  Mol. Weight: 706.80 g/mol

IUPAC: [(5R,6R,8R,9S,10R,13R,14R,15S)-5,6,14-trihydroxy-10,13-dimethyl-17-[(1S)-1-[(2R)-5-methyl-6-oxo-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3-dihydropyran-2-yl]ethyl]-1-oxo-4,6,7,8,9,11,12,15-octahydrocyclopenta[a]phenanthren-15-yl] acetate

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Overview

Molecular Formula C36H50O14
Molecular Weight 706.80 g/mol
Canonical SMILES CC1=C(CC(OC1=O)C(C)C2=CC(C3(C2(CCC4C3CC(C5(C4(C(=O)C=CC5)C)O)O)C)O)OC(=O)C)COC6C(C(C(C(O6)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy