Structure Information
Structure

Compound Identification

SMILES

[H]\C(CC[C@](C)(O[C@]1([H])O[C@]([H])(C)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O)C=C)=C(\CO)C(=O)O[C@@]1([H])C[C@]2(C(=O)O[C@]3([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]3([H])O[C@]3([H])O[C@@]([H])(C)[C@]([H])(O[C@]4([H])O[C@@]([H])(CO)[C@]([H])(O)[C@@]4([H])O)[C@@]([H])(O[C@]4([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]4([H])O)[C@@]3([H])O)[C@]([H])(O)C[C@]3(C)C(=CC[C@]4([H])[C@@]5(C)CC[C@]([H])(O[C@]6([H])O[C@]([H])(CO[C@]7([H])O[C@]([H])(C)[C@]([H])(O)[C@]([H])(O)[C@@]7([H])O[C@]7([H])OC[C@@]([H])(O)[C@]([H])(O)[C@@]7([H])O)[C@@]([H])(O)[C@]([H])(O)[C@@]6([H])O)C(C)(C)[C@]5([H])CC[C@@]34C)[C@@]2([H])CC1(C)C

InChIKey

InChIKey=XSYZYNNFQKBTTB-NKNBZLPCSA-N

Formula

C86H138O43

Mass

1860.007

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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 - Triterpenoid - Oligosaccharide - Fatty acyl glycoside - Alkyl glycoside - Glycosyl compound - O-glycosyl compound - Fatty alcohol - Beta-hydroxy acid - Fatty acid ester - Fatty acyl - Dicarboxylic acid or derivatives - Hydroxy acid - Oxane - Cyclic alcohol - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tetrahydrofuran - Secondary alcohol - Carboxylic acid ester - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Acetal - Polyol - Organic oxygen compound - Organic oxide - Alcohol - Hydrocarbon derivative - Carbonyl group - Primary alcohol - Organooxygen compound - 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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