Structure Information
Structure

Compound Identification

SMILES

C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@H](CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@H]3O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)O[C@@]11OC(=O)[C@H](C)C[C@@H]1O

InChIKey

InChIKey=JEHDEIWQIITMKD-AWIKYMJCSA-N

Formula

C55H88O27

Mass

1181.282

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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 - Oligosaccharide - 23-hydroxysteroid - Prostaglandin skeleton - Steroid lactone - Eicosanoid - Hydroxysteroid - Glycosyl compound - O-glycosyl compound - Ketal - Delta valerolactone - Delta_valerolactone - Fatty acyl - Oxane - Tetrahydrofuran - Secondary alcohol - Carboxylic acid ester - Lactone - Monocarboxylic acid or derivatives - Acetal - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Polyol - Primary alcohol - Hydrocarbon derivative - Alcohol - Organic oxide - Carbonyl group - Organic oxygen compound - 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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