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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP014584

1-O-Caffeoyl-3-O-galloyl-4,6-(S)-hexahydroxydiphen

Formula: C36H28O21  |  Mol. Weight: 796.60 g/mol

IUPAC: [(10R,11R,12R,13S,15R)-13-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3,4,5,12,21,22,23-heptahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-11-yl] 3,4,5-trihydroxybenzoate

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Overview

Molecular Formula C36H28O21
Molecular Weight 796.60 g/mol
Canonical SMILES C1C2C(C(C(C(O2)OC(=O)C=CC3=CC(=C(C=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O1)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy