Structure Information
Structure

Compound Identification

SMILES

C[C@@H]1OC(OC2C(O[C@@H]3[C@H](OC4[C@H](O)C(O[C@@H](O[C@H]5CC[C@@]6(C)C(CC[C@]7(C)C6CC[C@]68O[C@H](O)[C@]9(C6CC(C)(C)[C@@H](OC(=O)C6=CC=CC=C6)[C@@H]9OC(=O)\C=C\C6=CC=CC=C6)[C@@H](C[C@@]78C)OC(C)=O)C5(C)C)[C@H]4O[C@@H]4OC(CO)[C@@H](O)C(O)[C@@H]4O)C(O)=O)OC(CO)[C@H](O)C3O)O[C@@H](C)C(O)[C@@H]2O)[C@@H](O)C(O)[C@H]1O

InChIKey

InChIKey=SDSGKYIXHUFPHL-VFXCZWRFSA-N

Formula

C78H110O33

Mass

1575.705

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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 - Fatty acyl glycoside - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Tetracarboxylic acid or derivatives - Cinnamic acid or derivatives - Cinnamic acid ester - Glycosyl compound - O-glycosyl compound - Benzoate ester - Benzoic acid or derivatives - Styrene - Benzoyl - Beta-hydroxy acid - Fatty acid ester - Oxepane - Fatty acyl - Pyran - Monocyclic benzene moiety - Oxane - Hydroxy acid - Benzenoid - Tetrahydrofuran - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Secondary alcohol - Hemiacetal - Carboxylic acid ester - Polyol - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Carboxylic acid - Acetal - Organic oxide - Carbonyl group - Hydrocarbon derivative - Alcohol - Organooxygen compound - Primary alcohol - 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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