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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP005693

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

Formula: C32H30O15  |  Mol. Weight: 654.60 g/mol

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

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Overview

Molecular Formula C32H30O15
Molecular Weight 654.60 g/mol
Canonical SMILES COC1=C(C=CC(=C1)C=CC(=O)OC2C(C(C(OC2OC3=C(OC4=C(C3=O)C(=CC(=C4O)OC)O)C5=CC=C(C=C5)O)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy