Structure Information
Structure

Compound Identification

SMILES

CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](CO[C@@H]2OC[C@H](O)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O)O[C@H]1O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@@]4([C@H](O)C[C@@]32C)C(=O)O[C@@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3OC(=O)\C=C\C3=CC=CC=C3)[C@H]2O[C@@H]2OC[C@@H](O)[C@H](O[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@H]2O)C1(C)C

InChIKey

InChIKey=NXOJPRIMQZRNEZ-VHBDHRCWSA-N

Formula

C86H129NO41

Mass

1832.944

Export to:

JSON SDF CSV

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 - N-acyl-alpha-hexosamine - Fatty acyl glycoside - Cinnamic acid or derivatives - Cinnamic acid ester - Glycosyl compound - O-glycosyl compound - Tricarboxylic acid or derivatives - Styrene - Beta-hydroxy acid - Fatty acid ester - Hydroxy acid - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Oxane - Cyclic alcohol - Acetamide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tetrahydrofuran - Tertiary alcohol - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Carboxylic acid ester - Polyol - Carboxylic acid derivative - Acetal - Oxacycle - Organoheterocyclic compound - Organonitrogen compound - Organopnictogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Alcohol - Carbonyl group - 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

Previous Back Next