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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP009721

castasterone-23-O-glucoside

Formula: C34H58O10  |  Mol. Weight: 626.80 g/mol

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

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Overview

Molecular Formula C34H58O10
Molecular Weight 626.80 g/mol
Canonical SMILES CC(C)C(C)C(C(C(C)C1CCC2C1(CCC3C2CC(=O)C4C3(CC(C(C4)O)O)C)C)O)OC5C(C(C(C(O5)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy