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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP032137

Cyanidin 3-sophoroside chloride

Formula: C27H31ClO16  |  Mol. Weight: 647.00 g/mol

IUPAC: (2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride

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Overview

Molecular Formula C27H31ClO16
Molecular Weight 647.00 g/mol
Canonical SMILES C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O)O)O)O)O.[Cl-]

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy