Structure Information
Structure

Compound Identification

SMILES

[H][C@@]1(O[C@@]2([H])[C@@]([H])(O)[C@]([H])(O[C@]3([H])[C@@]([H])(O)[C@@]([H])(OC(=O)C=CC4=CC=C(OC)C=C4)[C@@]([H])(C)O[C@@]3([H])OC(=O)[C@]34CCC(C)(C)C[C@@]3([H])C3=CC[C@]5([H])[C@@]6(C)C[C@]([H])(O)[C@]([H])(O[C@]7([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]7([H])O)[C@@](C)(C(O)=O)[C@]6([H])CC[C@@]5(C)[C@]3(CO)CC4)O[C@@]([H])(C)[C@]2([H])O[C@]2([H])OC[C@@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]3([H])O)[C@]([H])(O)[C@@]2([H])O)OC[C@](O)(CO)[C@@]1([H])O

InChIKey

InChIKey=MHKVFEQHYBEOHA-JISIGWSCSA-N

Formula

C74H110O35

Mass

1559.659

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

CHEBI:74453 : cinnamate ester - hydroxy monocarboxylic acid - triterpenoid saponin - pentacyclic triterpenoid

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