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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP023752

Cyanidin 3-O-[b-D-Glucopyranosyl-(1->2)-[3,4-dihydroxy-E-cinnamoyl-(->6)]-b-D-glucopyranoside] 5-glucoside

Formula: C42H47O24+  |  Mol. Weight: 935.80 g/mol

IUPAC: [6-[2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxy-3,4-dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

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Overview

Molecular Formula C42H47O24+
Molecular Weight 935.80 g/mol
Canonical SMILES C1=CC(=C(C=C1C=CC(=O)OCC2C(C(C(C(O2)OC3=C([O+]=C4C=C(C=C(C4=C3)OC5C(C(C(C(O5)CO)O)O)O)O)C6=CC(=C(C=C6)O)O)OC7C(C(C(C(O7)CO)O)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy