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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP005479

2-(3,4-Dihydroxyphenyl)-3-[(3-O-I(2)-D-glucopyranosyl-I(2)-D-glucopyranosyl)oxy]-5,7-dihydroxy-4H-1-benzopyran-4-one

Formula: C27H30O17  |  Mol. Weight: 626.50 g/mol

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

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Overview

Molecular Formula C27H30O17
Molecular Weight 626.50 g/mol
Canonical SMILES C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)OC5C(C(C(C(O5)CO)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy