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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP039141

galloyl(-4)Glc(b1-6)Glc(b)-O-galloyl

Formula: C26H30O19  |  Mol. Weight: 646.50 g/mol

IUPAC: [(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl]methoxy]oxan-3-yl] 3,4,5-trihydroxybenzoate

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Overview

Molecular Formula C26H30O19
Molecular Weight 646.50 g/mol
Canonical SMILES C1=C(C=C(C(=C1O)O)O)C(=O)OC2C(OC(C(C2O)O)OCC3C(C(C(C(O3)OC(=O)C4=CC(=C(C(=C4)O)O)O)O)O)O)CO

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy