Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC)C=C(\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]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O[C@@H]5OC[C@H](O)[C@H](O)[C@H]5O)[C@H]4O)[C@@H](O)[C@H]3O)[C@H]2O)C=C1

InChIKey

InChIKey=JEQDQMZCNKJKCN-INNILTGOSA-N

Formula

C75H112O36

Mass

1589.685

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