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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP017550

galloyl(-3)Glc(b)-O-coumaroyl(3-OH)

Formula: C22H22O13  |  Mol. Weight: 494.40 g/mol

IUPAC: [(2S,3R,4S,5R,6R)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] 3,4,5-trihydroxybenzoate

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Overview

Molecular Formula C22H22O13
Molecular Weight 494.40 g/mol
Canonical SMILES C1=CC(=C(C=C1C=CC(=O)OC2C(C(C(C(O2)CO)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy