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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP018864

Cyanidin 3-gentiobioside

Formula: C27H31O16+  |  Mol. Weight: 611.50 g/mol

IUPAC: (2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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Overview

Molecular Formula C27H31O16+
Molecular Weight 611.50 g/mol
Canonical SMILES C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)COC5C(C(C(C(O5)CO)O)O)O)O)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy