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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP000987

3-[(2-O-I(2)-D-Glucopyranosyl-I(2)-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one

Formula: C29H34O17  |  Mol. Weight: 654.60 g/mol

IUPAC: 3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxychromen-4-one

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Overview

Molecular Formula C29H34O17
Molecular Weight 654.60 g/mol
Canonical SMILES COC1=CC(=C2C(=C1)OC(=C(C2=O)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)O)O)C5=CC(=C(C=C5)O)OC)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy