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

InChIKey

InChIKey=KLBQQJXKVACGIQ-DMBDAVFKSA-N

Formula

C42H62O16

Mass

822.942

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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 - Steroid-glucuronide-skeleton - Triterpenoid - Withanolide-skeleton - Steroid lactone - 4-carboxy steroid - Steroid acid - 15-hydroxysteroid - Hydroxysteroid - Steroid - Fatty acyl glycoside - Fatty acyl glycoside of mono- or disaccharide - O-glucuronide - 1-o-glucuronide - Glucuronic acid or derivatives - Disaccharide - Glycosyl compound - O-glycosyl compound - Tricarboxylic acid or derivatives - Beta-hydroxy acid - Dihydropyranone - Oxane - Pyran - Fatty acyl - Hydroxy acid - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Secondary alcohol - Lactone - Oxacycle - Acetal - Carboxylic acid - Carboxylic acid derivative - Polyol - Organoheterocyclic compound - Primary alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - 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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