Structure Information
Structure

Compound Identification

SMILES

C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC(=O)[C@]4(CO)[C@H]3CC[C@]12C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC(C)=C(CO)C(=O)O1

InChIKey

InChIKey=PRNFAKRMKREHJM-XYLPFXPVSA-N

Formula

C34H50O11

Mass

634.763

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Subclass

Steroid lactones

Intermediate Tree Nodes

Withanolides and derivatives

Direct Parent

Withanolide glycosides and derivatives

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Withanolide-glycoside - Diterpene glycoside - 26-hydroxysteroid - Steroidal glycoside - Diterpene lactone - Diterpenoid - 19-hydroxysteroid - Hydroxysteroid - 1-oxosteroid - Oxosteroid - Delta-5-steroid - Terpene glycoside - Glycosyl compound - O-glycosyl compound - Dihydropyranone - Oxane - Pyran - Monosaccharide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Secondary alcohol - Ketone - Lactone - Acetal - Organoheterocyclic compound - Oxacycle - Polyol - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxide - Hydrocarbon derivative - Alcohol - Organic oxygen compound - Primary alcohol - Organooxygen compound - Carbonyl group - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as withanolide glycosides and derivatives. These are withanolides in which at least one hydroxyl group is glycosylated.

External Descriptors

CHEBI:69113 : beta-D-glucoside - monosaccharide derivative - delta-lactone - 27-hydroxy steroid - 19-hydroxy steroid - ergostanoid - withanolide saponin

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