Compound Identification
SMILES
[H][C@@](C)(O)[C@@]([H])(C)C(=O)O[C@]([H])(C)[C@@]([H])(C)C(=O)O[C@@]1([H])[C@@]([H])(C)O[C@@]([H])(OC(=O)[C@]23CCC(C)(C)C[C@@]2([H])C2=CC[C@]4([H])[C@@]5(C)C[C@]([H])(O)[C@]([H])(O[C@]6([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]6([H])O)[C@@](C)(C(O)=O)[C@]5([H])CC[C@@]4(C)[C@]2(C)C[C@@]3([H])O)[C@]([H])(O[C@]2([H])O[C@@]([H])(C)[C@]([H])(O[C@]3([H])OC[C@@]([H])(O)[C@]([H])(O)[C@@]3([H])O)[C@@]([H])(O)[C@@]2([H])O[C@]2([H])OC[C@]([H])(O)[C@]([H])(O)[C@@]2([H])O)[C@@]1([H])O
InChIKey
InChIKey=GXOXFJJIVVLIFY-DUQOXWFKSA-N
Formula
C68H108O32
Mass
1437.58
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 12-alpha-hydroxysteroids Fatty acyl glycosides Tetracarboxylic acids and derivatives O-glycosyl compounds Beta hydroxy acids and derivatives Fatty acid esters Oxanes Secondary alcohols Carboxylic acid esters Cyclic alcohols and derivatives Acetals Polyols Oxacyclic compounds Carboxylic acids Primary alcohols Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Triterpene saponin - Triterpenoid - Oligosaccharide - 12-alpha-hydroxysteroid - 12-hydroxysteroid - 15-hydroxysteroid - Hydroxysteroid - Steroid - Fatty acyl glycoside - Tetracarboxylic acid or derivatives - Glycosyl compound - O-glycosyl compound - Beta-hydroxy acid - Fatty acid ester - Fatty acyl - Hydroxy acid - Oxane - Cyclic alcohol - Carboxylic acid ester - Secondary alcohol - Polyol - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Oxacycle - Acetal - Primary alcohol - Alcohol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - 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