Structure Information
Structure

Compound Identification

SMILES

C[C@H]1[C@H]2[C@@H](OC11OC(=O)[C@H](C)C[C@H]1O)[C@H](O)[C@H]1[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]21C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O

InChIKey

InChIKey=HOMLVLVMIWTMDJ-OAKOKLGFSA-N

Formula

C39H60O15

Mass

768.894

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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 - Withanolide-glycoside - Triterpenoid - Spirostane skeleton - Withanolide-skeleton - Prostaglandin skeleton - 23-hydroxysteroid - Steroid lactone - Eicosanoid - 15-hydroxysteroid - Hydroxysteroid - Delta-5-steroid - Disaccharide - O-glycosyl compound - Glycosyl compound - Ketal - Delta valerolactone - Delta_valerolactone - Oxane - Fatty acyl - Cyclic alcohol - Tetrahydrofuran - Lactone - Secondary alcohol - Carboxylic acid ester - Polyol - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Acetal - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Alcohol - Carbonyl group - Primary alcohol - 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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