Structure Information
Structure

Compound Identification

SMILES

C[C@@H]([C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@]4(C)C(O)=O)[C@@H]1CC=C(C)C(=O)O1

InChIKey

InChIKey=NISBQKZXGCOUOU-UNEPLQKGSA-N

Formula

C42H64O15

Mass

808.959

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Terpene glycosides

Intermediate Tree Nodes

Triterpene glycosides

Direct Parent

Triterpene saponins

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Triterpene saponin - Withanolide-glycoside - Cycloartanol-skeleton - 9b,19-cyclo-lanostane-skeleton - Cycloartane-skeleton - Triterpenoid - Withanolide-skeleton - Steroid lactone - 4-carboxy steroid - Steroid acid - Hydroxysteroid - 15-hydroxysteroid - Steroid - Fatty acyl glycoside of mono- or disaccharide - Fatty acyl glycoside - O-glycosyl compound - Disaccharide - Glycosyl compound - Dihydropyranone - Dicarboxylic acid or derivatives - Fatty acyl - Pyran - Oxane - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Lactone - Carboxylic acid ester - Secondary alcohol - Polyol - Carboxylic acid derivative - Carboxylic acid - Acetal - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Carbonyl group - Alcohol - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as triterpene saponins. These are glycosylated derivatives of triterpene sapogenins. The sapogenin moiety backbone is usually based on the oleanane, ursane, taraxastane, bauerane, lanostane, lupeol, lupane, dammarane, cycloartane, friedelane, hopane, 9b,19-cyclo-lanostane, cycloartane, or cycloartanol skeleton.

External Descriptors

Not available

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