BIMP Logo
SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP003916

(2beta,3beta,5beta,22r)-2,20,22-Trihydroxy-6-oxocholesta-7,14-dien-3-yl beta-d-glucopyranoside

Formula: C33H52O10  |  Mol. Weight: 608.80 g/mol

IUPAC: (2S,3R,5R,9R,10R,13R,17S)-17-[(2R,3R)-2,3-dihydroxy-6-methylheptan-2-yl]-2-hydroxy-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,5,9,11,12,16,17-decahydrocyclopenta[a]phenanthren-6-one

3D View Find Similar

Overview

Molecular Formula C33H52O10
Molecular Weight 608.80 g/mol
Canonical SMILES CC(C)CCC(C(C)(C1CC=C2C1(CCC3C2=CC(=O)C4C3(CC(C(C4)OC5C(C(C(C(O5)CO)O)O)O)O)C)C)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy