Compound Identification
SMILES
CC1OC(OC2C(O)C(O)C(CO)OC2OC2=CC3C(=CCC4C5(C)CC(O)C(C(C)(O)C(=O)CCC(C)(C)O)C5(C)CC(=O)C34C)C(C)(C)C2=O)C(O)C(O)C1O
InChIKey
InChIKey=UFINFGVQJXYBJL-UHFFFAOYSA-N
Formula
C42H64O16
Mass
824.958
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
-
Subclass
Steroidal glycosides
-
Level 5
Steroidal saponins
- Level 6 Cucurbitacin glycosides
-
Level 5
Steroidal saponins
-
Subclass
Steroidal glycosides
-
Class
Steroids and steroid derivatives
-
Superclass
Lipids and lipid-like molecules
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
Triterpenoids Cucurbitacins 11-oxosteroids 16-hydroxysteroids 3-oxo delta-1-steroids Delta-1-steroids Disaccharides O-glycosyl compounds Cyclohexenones Acyloins Oxanes Alpha-hydroxy ketones Tertiary alcohols Secondary alcohols Cyclic alcohols and derivatives Oxacyclic compounds Polyols Acetals Primary alcohols Organic oxides Hydrocarbon derivatives
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