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]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)[C@@]4(C)C(O)=O)[C@@H]1CC=C(C)C(=O)O1
InChIKey
InChIKey=KLBQQJXKVACGIQ-DMBDAVFKSA-N
Formula
C42H62O16
Mass
822.942
Taxonomic Classification
Taxonomy Tree
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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
Withanolide glycosides and derivatives Triterpenoids Steroid glucuronide conjugates Cycloartanols and derivatives 4-carboxy steroids Hydroxysteroids Fatty acyl glycosides of mono- and disaccharides O-glucuronides Disaccharides O-glycosyl compounds Tricarboxylic acids and derivatives Beta hydroxy acids and derivatives Dihydropyranones Oxanes Enoate esters Secondary alcohols Lactones Oxacyclic compounds Polyols Carboxylic acids Acetals Organic oxides Carbonyl compounds Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Triterpene saponin - Withanolide-glycoside - Cycloartanol-skeleton - 9b,19-cyclo-lanostane-skeleton - Cycloartane-skeleton - Steroid-glucuronide-skeleton - Triterpenoid - Withanolide-skeleton - Steroid lactone - 4-carboxy steroid - Steroid acid - 15-hydroxysteroid - Hydroxysteroid - Steroid - Fatty acyl glycoside - Fatty acyl glycoside of mono- or disaccharide - O-glucuronide - 1-o-glucuronide - Glucuronic acid or derivatives - Disaccharide - Glycosyl compound - O-glycosyl compound - Tricarboxylic acid or derivatives - Beta-hydroxy acid - Dihydropyranone - Oxane - Pyran - Fatty acyl - Hydroxy acid - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Secondary alcohol - Lactone - Oxacycle - Acetal - Carboxylic acid - Carboxylic acid derivative - Polyol - Organoheterocyclic compound - Primary alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - 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