Structure Information
Structure

Compound Identification

SMILES

CC(C)(O)CCC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(C=C(OC5OC(CO)C(OC6OC(CO)C(O)C(O)C6O)C(O)C5O)C(=O)C4(C)C)C3(C)C(=O)CC12C

InChIKey

InChIKey=WYARQSIYTLAQAA-UHFFFAOYSA-N

Formula

C42H64O17

Mass

840.957

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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

Steroidal saponins

Direct Parent

Cucurbitacin glycosides

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Cucurbitacin glycoside skeleton - Triterpenoid - Cucurbitacin skeleton - 25-hydroxysteroid - 22-oxosteroid - 21-oxosteroid - 20-hydroxysteroid - 16-hydroxysteroid - 3-oxosteroid - Oxosteroid - 3-oxo-delta-1-steroid - 11-oxosteroid - Hydroxysteroid - Delta-1-steroid - Disaccharide - Glycosyl compound - O-glycosyl compound - Cyclohexenone - Oxane - Acyloin - Alpha-hydroxy ketone - Cyclic alcohol - Tertiary alcohol - Secondary alcohol - Cyclic ketone - Ketone - Acetal - Organoheterocyclic compound - Oxacycle - Polyol - Primary alcohol - Organic oxide - Carbonyl group - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as cucurbitacin glycosides. These are polycyclic compounds containing a carbohydrate derivative glycosidically linked to a curcubitane nucleus.

External Descriptors

Not available

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