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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP012953

5,7-Dihydroxy-3',4'-dimethoxy-8-(3-hydroxy-3-methylbutyl)-isoflavone 7-glucoside

Formula: C28H34O12  |  Mol. Weight: 562.60 g/mol

IUPAC: 3-(3,4-dimethoxyphenyl)-5-hydroxy-8-(3-hydroxy-3-methylbutyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

Overview

Molecular Formula C28H34O12
Molecular Weight 562.60 g/mol
Canonical SMILES CC(C)(CCC1=C(C=C(C2=C1OC=C(C2=O)C3=CC(=C(C=C3)OC)OC)O)OC4C(C(C(C(O4)CO)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy