Compound Identification
SMILES
CCC(C)C(=O)O[C@H]1[C@H](OC(=O)\C=C(/C)CCC=C(C)C)C(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7O[C@@H](CO)[C@H](O)[C@H]7O)[C@H](OC(C)=O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(O)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)[C@@H](O)[C@@H](O)[C@@]12CO
InChIKey
InChIKey=IGZKUEHSCWAURC-TVCTUJPYSA-N
Formula
C64H100O24
Mass
1253.48
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
Triterpenoids Oligosaccharides 16-oxosteroids 6-hydroxysteroids 7-alpha-hydroxysteroids Fatty acyl glycosides O-glucuronides Tetracarboxylic acids and derivatives O-glycosyl compounds Fatty acid esters Pyrans Oxanes Tetrahydrofurans Enoate esters Secondary alcohols Cyclic alcohols and derivatives Oxacyclic compounds Carboxylic acids Acetals Polyols Primary alcohols Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Triterpene saponin - Triterpenoid - Oligosaccharide - 6-hydroxysteroid - Hydroxysteroid - 16-oxosteroid - Oxosteroid - 7-alpha-hydroxysteroid - 7-hydroxysteroid - Steroid - Fatty acyl glycoside - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Tetracarboxylic acid or derivatives - Glycosyl compound - O-glycosyl compound - Fatty acid ester - Fatty acyl - Oxane - Pyran - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Cyclic alcohol - Tetrahydrofuran - Carboxylic acid ester - Secondary alcohol - Acetal - Carboxylic acid derivative - Oxacycle - Carboxylic acid - Organoheterocyclic compound - Polyol - Alcohol - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Primary alcohol - Carbonyl group - Organic oxygen 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