Compound Identification
SMILES
CC=C(C)C(=O)OC1C(OC(C)=O)C(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OCC(O)C(O)C7O)C6O)C(O)=O)C(C)(CO)C5CCC4(C)C3(C)C(OC(C)=O)C(OC(C)=O)C12CO
InChIKey
InChIKey=WUDMJSOLZRMVLR-UHFFFAOYSA-N
Formula
C52H78O21
Mass
1039.175
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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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
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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 16-oxosteroids Pentacarboxylic acids and derivatives O-glucuronides Disaccharides O-glycosyl compounds Fatty acid esters Beta hydroxy acids and derivatives Oxanes Pyrans Enoate esters Secondary alcohols Oxacyclic compounds Acetals Carboxylic acids Polyols Organic oxides Hydrocarbon derivatives Carbonyl compounds Primary alcohols
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Triterpene saponin - Triterpenoid - 16-oxosteroid - Oxosteroid - Steroid - Pentacarboxylic acid or derivatives - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Disaccharide - Glycosyl compound - O-glycosyl compound - Beta-hydroxy acid - Fatty acid ester - Fatty acyl - Pyran - Hydroxy acid - Oxane - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Secondary alcohol - Polyol - Oxacycle - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Acetal - Alcohol - Primary 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