Compound Identification
SMILES
CC1OC(OC2C(OC3C(O)C(O)C(OC3OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC7(C)CC(OC7=O)C6(C)CCC54C)C3(C)CO)C(O)=O)OC(CO)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O
InChIKey
InChIKey=AQWASCRJKUJRIP-UHFFFAOYSA-N
Formula
C53H82O23
Mass
1087.216
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Terpene glycosides
-
Level 5
Triterpene glycosides
- Level 6 Triterpene saponins
-
Level 5
Triterpene glycosides
-
Subclass
Terpene glycosides
-
Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Terpene glycosides
Intermediate Tree Nodes
Triterpene glycosides
Direct Parent
Triterpene saponins
Alternative Parents
Triterpenoids Oligosaccharides Steroids and steroid derivatives Fatty acyl glycosides O-glucuronides O-glycosyl compounds Beta hydroxy acids and derivatives Oxepanes Dicarboxylic acids and derivatives Gamma butyrolactones Pyrans Oxanes Tetrahydrofurans Secondary alcohols Carboxylic acid esters Acetals Carboxylic acids Polyols Oxacyclic compounds Primary alcohols Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Triterpene saponin - Triterpenoid - Oligosaccharide - Steroid - Fatty acyl glycoside - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Glycosyl compound - O-glycosyl compound - Caprolactone - Beta-hydroxy acid - Oxepane - Pyran - Oxane - Fatty acyl - Dicarboxylic acid or derivatives - Gamma butyrolactone - Hydroxy acid - Tetrahydrofuran - Secondary alcohol - Carboxylic acid ester - Lactone - Organoheterocyclic compound - Polyol - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Acetal - Alcohol - Primary alcohol - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as triterpene saponins. These are glycosylated derivatives of triterpene sapogenins. The sapogenin moiety backbone is usually based on the oleanane, ursane, taraxastane, bauerane, lanostane, lupeol, lupane, dammarane, cycloartane, friedelane, hopane, 9b,19-cyclo-lanostane, cycloartane, or cycloartanol skeleton.
External Descriptors
Not available