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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP030708

8-C-Ascorbylepigallocatechin 3-gallate

Formula: C28H24O17  |  Mol. Weight: 632.50 g/mol

IUPAC: [13-(1,2-dihydroxyethyl)-8,12,16-trihydroxy-15-oxo-4-(3,4,5-trihydroxyphenyl)-3,11,14-trioxatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2(7),8-trien-5-yl] 3,4,5-trihydroxybenzoate

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Overview

Molecular Formula C28H24O17
Molecular Weight 632.50 g/mol
Canonical SMILES C1C(C(OC2=C1C(=CC3=C2C4(C(=O)OC(C4(O3)O)C(CO)O)O)O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy