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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP009343

[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[5-hydroxy-2-(4-methoxy-6-oxopyran-2-yl)-3-methylphenoxy]-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-eneperoxoate

Formula: C28H28O13  |  Mol. Weight: 572.50 g/mol

IUPAC: [(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[5-hydroxy-2-(4-methoxy-6-oxopyran-2-yl)-3-methylphenoxy]-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-eneperoxoate

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Overview

Molecular Formula C28H28O13
Molecular Weight 572.50 g/mol
Canonical SMILES CC1=CC(=CC(=C1C2=CC(=CC(=O)O2)OC)OC3C(C(C(C(O3)CO)O)O)OOC(=O)C=CC4=CC=C(C=C4)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy