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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP000262

Quercetin 3-O-caffeyl-glucoside

Formula: C30H26O15  |  Mol. Weight: 626.50 g/mol

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

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Overview

Molecular Formula C30H26O15
Molecular Weight 626.50 g/mol
Canonical SMILES C1=CC(=C(C=C1C=CC(=O)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)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy