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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP010169

4-[(1E)-2-(3,5-Dihydroxyphenyl)ethenyl]phenyl I(2)-D-glucopyranoside 2-(3,4,5-trihydroxybenzoate)

Formula: C27H26O12  |  Mol. Weight: 542.50 g/mol

IUPAC: [(2S,3R,4S,5S,6R)-2-[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate

Overview

Molecular Formula C27H26O12
Molecular Weight 542.50 g/mol
Canonical SMILES C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)OC3C(C(C(C(O3)CO)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy