Structure Information
Structure

Compound Identification

SMILES

COC1=CC(\C=C\C(=O)O[C@H]2[C@@H](C)O[C@@H](OC(=O)[C@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@@]6(C)C[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@](C)([C@@H]6CC[C@@]5(C)[C@]3(CO)CC4)C(O)=O)[C@H](O[C@@H]3O[C@@H](C)[C@H](O[C@@H]4OC[C@@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H]4O)[C@@H](O)[C@H]3O)[C@H]2O)=CC(OC)=C1OC

InChIKey

InChIKey=IXWJJTSVXLGPFH-DGBQBNDASA-N

Formula

C76H114O37

Mass

1619.711

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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

Aromatic heteropolycyclic compounds

Substituents

Triterpene saponin - Triterpenoid - Oligosaccharide - 12-hydroxysteroid - 15-hydroxysteroid - Hydroxysteroid - 12-alpha-hydroxysteroid - Steroid - Fatty acyl glycoside - Cinnamic acid or derivatives - Coumaric acid or derivatives - Cinnamic acid ester - Glycosyl compound - O-glycosyl compound - Tricarboxylic acid or derivatives - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Styrene - Alkyl aryl ether - Fatty acid ester - Oxane - Benzenoid - Monocyclic benzene moiety - Fatty acyl - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Cyclic alcohol - Secondary alcohol - Carboxylic acid ester - Organoheterocyclic compound - Polyol - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Acetal - Ether - Organooxygen compound - Hydrocarbon derivative - Primary alcohol - Alcohol - Organic oxide - Carbonyl group - Organic oxygen compound - Aromatic 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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