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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP035779

Quercetin 3-O-xylosyl-rutinoside

Formula: C32H38O20  |  Mol. Weight: 742.60 g/mol

IUPAC: 3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6S)-4-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one

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Overview

Molecular Formula C32H38O20
Molecular Weight 742.60 g/mol
Canonical SMILES CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)OC6C(C(C(O6)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy