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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP026167

Deoxoglycyrrhizin

Formula: C42H64O15  |  Mol. Weight: 808.90 g/mol

IUPAC: 6-[6-carboxy-2-[(11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl)oxy]-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

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Overview

Molecular Formula C42H64O15
Molecular Weight 808.90 g/mol
Canonical SMILES CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)C)CC=C6C3(CCC7(C6CC(CC7)(C)C(=O)O)C)C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy