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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP035809

Cyanidin 3-O-(2'-xylosyl-6'-(6''-p-hydroxybenzoyl-glucosyl)-galactoside)

Formula: C39H43O22+  |  Mol. Weight: 863.70 g/mol

IUPAC: [(2R,3S,4S,5R,6R)-6-[[(2R,3R,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4-dihydroxy-5-[[(3R,4R,5R)-3,4,5-trihydroxyoxolan-2-yl]methoxy]oxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 4-hydroxybenzoate

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Overview

Molecular Formula C39H43O22+
Molecular Weight 863.70 g/mol
Canonical SMILES C1=CC(=CC=C1C(=O)OCC2C(C(C(C(O2)OCC3C(C(C(C(O3)OC4=CC5=C(C=C(C=C5[O+]=C4C6=CC(=C(C=C6)O)O)O)O)OCC7C(C(C(O7)O)O)O)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy