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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP023814

Pelargonidin 3-O-[4-Hydroxy-3-methoxy-E-cinnamoyl-(->4)-a-L-rhamnopyranosyl-(1->6)-b-D-glucopyranoside] 5-O-b-D-glucopyranoside

Formula: C43H49O22+  |  Mol. Weight: 917.80 g/mol

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

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Overview

Molecular Formula C43H49O22+
Molecular Weight 917.80 g/mol
Canonical SMILES CC1C(C(C(C(O1)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)O)O)O)O)OC(=O)C=CC7=CC(=C(C=C7)O)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy