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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP029183

[(2R,3S,4R,5R,6S)-3-acetyloxy-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate

Formula: C32H28O14  |  Mol. Weight: 636.60 g/mol

IUPAC: [(2R,3S,4R,5R,6S)-3-acetyloxy-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate

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Overview

Molecular Formula C32H28O14
Molecular Weight 636.60 g/mol
Canonical SMILES CC(=O)OC1C(OC(C(C1O)O)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)COC(=O)C=CC5=CC=C(C=C5)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy