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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP035777

Quercetin 3-O-xylosyl-glucuronide

Formula: C26H26O17  |  Mol. Weight: 610.50 g/mol

IUPAC: [(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl] (2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate

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Overview

Molecular Formula C26H26O17
Molecular Weight 610.50 g/mol
Canonical SMILES C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)C(=O)OC5C(C(C(O5)CO)O)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy