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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP035814

Peonidin 3-feruloyl-diglucoside 5-glucoside

Formula: C44H51O24+  |  Mol. Weight: 963.90 g/mol

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

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Overview

Molecular Formula C44H51O24+
Molecular Weight 963.90 g/mol
Canonical SMILES COC1=C(C=C(C=C1)C=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)OC)OC7C(C(C(C(O7)CO)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy