Compound Identification
SMILES
C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@@]6(CC[C@@]54C)C(=O)O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C3(C)C)O[C@@H]2C(O)=O)[C@H](O)[C@H](O)[C@H]1O
InChIKey
InChIKey=FWGUQBCYEUGRPQ-IRWWUQPRSA-N
Formula
C48H76O18
Mass
941.118
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
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Class
Prenol lipids
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Subclass
Terpene glycosides
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Level 5
Triterpene glycosides
- Level 6 Triterpene saponins
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Level 5
Triterpene glycosides
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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 O-glucuronides Disaccharides O-glycosyl compounds Dicarboxylic acids and derivatives Pyrans Oxanes Secondary alcohols Carboxylic acid esters Acetals Carboxylic acids Oxacyclic compounds Polyols Organic oxides Primary alcohols Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Triterpene saponin - Triterpenoid - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Disaccharide - Glycosyl compound - O-glycosyl compound - Dicarboxylic acid or derivatives - Pyran - Oxane - Carboxylic acid ester - Secondary alcohol - Organoheterocyclic compound - Oxacycle - Carboxylic acid - Acetal - Carboxylic acid derivative - Polyol - Primary alcohol - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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
CHEBI:7736 :
triterpenoid saponin
KEGG (C08962) :
Oleananes