Compound Identification
SMILES
C[C@@H]([C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@]4(C)C(O)=O)[C@@H]1CC=C(C)C(=O)O1
InChIKey
InChIKey=NISBQKZXGCOUOU-UNEPLQKGSA-N
Formula
C42H64O15
Mass
808.959
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
-
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
Withanolide glycosides and derivatives Triterpenoids Cycloartanols and derivatives 4-carboxy steroids Hydroxysteroids Fatty acyl glycosides of mono- and disaccharides Disaccharides O-glycosyl compounds Dihydropyranones Dicarboxylic acids and derivatives Oxanes Enoate esters Secondary alcohols Lactones Oxacyclic compounds Acetals Polyols Carboxylic acids Hydrocarbon derivatives Primary alcohols Carbonyl compounds Organic oxides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Triterpene saponin - Withanolide-glycoside - Cycloartanol-skeleton - 9b,19-cyclo-lanostane-skeleton - Cycloartane-skeleton - Triterpenoid - Withanolide-skeleton - Steroid lactone - 4-carboxy steroid - Steroid acid - Hydroxysteroid - 15-hydroxysteroid - Steroid - Fatty acyl glycoside of mono- or disaccharide - Fatty acyl glycoside - O-glycosyl compound - Disaccharide - Glycosyl compound - Dihydropyranone - Dicarboxylic acid or derivatives - Fatty acyl - Pyran - Oxane - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Lactone - Carboxylic acid ester - Secondary alcohol - Polyol - Carboxylic acid derivative - Carboxylic acid - Acetal - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Carbonyl group - Alcohol - 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