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@@]4(C)C(O)=O)[C@@H]1CC=C(C)C(=O)O1

InChIKey

InChIKey=CJHYXUPCGHKJOO-AYOTXDKCSA-N

Formula

C36H54O10

Mass

646.818

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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 - Steroid acid - 4-carboxy steroid - 15-hydroxysteroid - Hydroxysteroid - Steroid - Fatty acyl glycoside of mono- or disaccharide - Fatty acyl glycoside - Glycosyl compound - O-glycosyl compound - Dihydropyranone - Dicarboxylic acid or derivatives - Fatty acyl - Monosaccharide - Pyran - Oxane - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Lactone - Secondary alcohol - Carboxylic acid ester - Polyol - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Acetal - Carboxylic acid - Primary alcohol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - 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

CHEBI:2364 : triterpenoid saponin - pentacyclic triterpenoid - steroid lactone
LIPIDMAPS (LMST01100009) : Cycloartanols and derivatives

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