Structure Information
Structure

Compound Identification

SMILES

CC(C)(O)CCC(=O)[C@@](C)(O)[C@H]1[C@H](O)C[C@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O[C@H]5O[C@@H](COC(=O)\C=C\C6=CC=CC=C6)[C@H](O)[C@@H](O)[C@@H]5O)[C@H](O)C4(C)C)[C@@]3(C)CC[C@@]12C

InChIKey

InChIKey=MTILJNXOAHQLMO-RGYNOFHVSA-N

Formula

C45H66O12

Mass

799.011

Export to:

JSON SDF CSV

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

Aromatic heteropolycyclic compounds

Substituents

Cucurbitacin glycoside skeleton - Triterpenoid - Cucurbitacin skeleton - 25-hydroxysteroid - 22-oxosteroid - 21-oxosteroid - 20-hydroxysteroid - 3-beta-hydroxysteroid - 16-hydroxysteroid - 16-alpha-hydroxysteroid - 3-beta-hydroxy-delta-5-steroid - Oxosteroid - Hydroxysteroid - 3-hydroxysteroid - 3-hydroxy-delta-5-steroid - Delta-5-steroid - Cinnamic acid ester - Cinnamic acid or derivatives - O-glycosyl compound - Glycosyl compound - Styrene - Fatty acid ester - Fatty acyl - Benzenoid - Oxane - Monosaccharide - Monocyclic benzene moiety - Acyloin - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Cyclic alcohol - Alpha-hydroxy ketone - Secondary alcohol - Ketone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Polyol - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aromatic 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

Previous Back Next