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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP036894

Peonidin 3,5-diglucoside

Formula: C28H33ClO16  |  Mol. Weight: 661.00 g/mol

IUPAC: (2S,3R,4S,5S,6R)-2-[7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride

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Overview

Molecular Formula C28H33ClO16
Molecular Weight 661.00 g/mol
Canonical SMILES COC1=C(C=CC(=C1)C2=C(C=C3C(=CC(=CC3=[O+]2)O)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O.[Cl-]

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy