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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP018834

CID 11967819

Formula: C35H54O14  |  Mol. Weight: 698.80 g/mol

IUPAC: 3-[(3R,5R,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-[(2R,5S)-3,4,5-trihydroxy-6-[[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

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Overview

Molecular Formula C35H54O14
Molecular Weight 698.80 g/mol
Canonical SMILES CC12CCC(CC1CCC3C2CCC4(C3(CCC4C5=CC(=O)OC5)O)C)OC6C(C(C(C(O6)COC7C(C(C(C(O7)CO)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy