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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP029283

[(2S,3R,4S,5S,6R)-2-[2-(5,7-dihydroxy-8-methoxy-4-oxochromen-2-yl)-3-hydroxyphenoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

Formula: C31H28O15  |  Mol. Weight: 640.50 g/mol

IUPAC: [(2S,3R,4S,5S,6R)-2-[2-(5,7-dihydroxy-8-methoxy-4-oxochromen-2-yl)-3-hydroxyphenoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

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Overview

Molecular Formula C31H28O15
Molecular Weight 640.50 g/mol
Canonical SMILES COC1=C(C=C(C2=C1OC(=CC2=O)C3=C(C=CC=C3OC4C(C(C(C(O4)CO)O)O)OC(=O)C=CC5=CC(=C(C=C5)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy