Structure Information
Structure

Compound Identification

SMILES

C[C@@H]1[C@@]2(CC[C@@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CO2)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]12O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](OC(C)=O)[C@@H](O)[C@H]1O

InChIKey

InChIKey=OPOFYHQOGUVQQC-MWKJVKGESA-N

Formula

C47H74O20

Mass

959.089

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Subclass

Steroidal glycosides

Intermediate Tree Nodes

Not available

Direct Parent

Steroidal saponins

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Steroidal saponin - Triterpenoid - Spirostane skeleton - Hydroxysteroid - 17-hydroxysteroid - Delta-5-steroid - Disaccharide - Glycosyl compound - O-glycosyl compound - Ketal - Oxane - Tertiary alcohol - Cyclic alcohol - Tetrahydrofuran - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Organoheterocyclic compound - Acetal - Oxacycle - Monocarboxylic acid or derivatives - Polyol - Primary alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Alcohol - Organooxygen compound - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as steroidal saponins. These are saponins in which the aglycone moiety is a steroid. The steroidal aglycone is usually a spirostane, furostane, spirosolane, solanidane, or curcubitacin derivative.

External Descriptors

Not available

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