Compound Identification
SMILES
C[C@@H]1O[C@@H](OCCCCCCCC(O)CCCCCCC(O)C(=O)O[C@H]2[C@@H](C)O[C@@H](OC(=O)[C@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@@]6(C)C[C@H](O)[C@H](O[C@@H]7O[C@H](CO[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O)[C@@](C)(CO)[C@@H]6CC[C@@]5(C)[C@]3(C)C[C@H]4O)[C@H](O[C@@H]3O[C@@H](C)[C@H](O[C@@H]4OC[C@@H](O[C@@H]5OC[C@](O)(CO)[C@H]5O)[C@H](O)[C@H]4O)[C@@H](O)[C@H]3O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O
InChIKey
InChIKey=JQEKZQAPXCKHEQ-UWKGFQNZSA-N
Formula
C91H152O44
Mass
1950.173
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
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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 12-alpha-hydroxysteroids Long-chain fatty alcohols Alkyl glycosides O-glycosyl compounds Fatty acid esters Beta hydroxy acids and derivatives Oxanes Dicarboxylic acids and derivatives Tetrahydrofurans Tertiary alcohols Secondary alcohols Cyclic alcohols and derivatives Carboxylic acid esters Polyols Oxacyclic compounds Acetals Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Triterpene saponin - Triterpenoid - Oligosaccharide - 12-alpha-hydroxysteroid - Hydroxysteroid - 12-hydroxysteroid - Steroid - Fatty acyl glycoside - Long chain fatty alcohol - Alkyl glycoside - O-glycosyl compound - Glycosyl compound - Fatty alcohol - Fatty acid ester - Beta-hydroxy acid - Fatty acyl - Oxane - Hydroxy acid - Dicarboxylic acid or derivatives - Tetrahydrofuran - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Polyol - Carboxylic acid derivative - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - 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