Structure Information
Structure

Compound Identification

SMILES

C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)O[C@H]1O[C@H](COCC2=CC=CC=C2)[C@@H](OCC2=CC=CC=C2)[C@H](OCC2=CC=CC=C2)[C@H]1O)[C@H]1CCC(C)C(=O)O1

InChIKey

InChIKey=BVDGPEUTPQFRIU-UFVQCPKRSA-N

Formula

C54H70O8

Mass

847.146

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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

Aromatic heteropolycyclic compounds

Substituents

Withanolide-glycoside - Diterpene glycoside - Steroidal glycoside - Diterpene lactone - Diterpenoid - Delta-5-steroid - Terpene glycoside - Glycosyl compound - O-glycosyl compound - Benzylether - Delta valerolactone - Delta_valerolactone - Monosaccharide - Oxane - Monocyclic benzene moiety - Benzenoid - Secondary alcohol - Lactone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Ether - Acetal - Dialkyl ether - Oxacycle - Organoheterocyclic compound - Alcohol - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Aromatic 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

Not available

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