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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP024203

Licoricesaponin D3

Formula: C50H76O21  |  Mol. Weight: 1013.10 g/mol

IUPAC: 6-[(9-acetyloxy-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]-5-[6-carboxy-3,5-dihydroxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid

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Overview

Molecular Formula C50H76O21
Molecular Weight 1013.10 g/mol
Canonical SMILES CC1C(C(C(C(O1)OC2C(C(OC(C2O)OC3C(C(C(OC3OC4CCC5(C(C4(C)C)CCC6(C5CC=C7C6(CCC8(C7CC(CC8OC(=O)C)(C)C(=O)O)C)C)C)C)C(=O)O)O)O)C(=O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy