Compound Identification
SMILES
C[C@H]1O[C@@H](OC[C@H]2O[C@@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)[C@H](C[C@@]6([C@H](O)C[C@@]54C)C(O)=O)OC(=O)C(\CO)=C\CCC(C)(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@@H]4O)C=C)C3(C)C)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@@H]2O)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O
InChIKey
InChIKey=UFRBKJHIRYWWRO-OAGGWXNTSA-N
Formula
C69H110O30
Mass
1419.609
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 Alkyl glycosides O-glycosyl compounds Fatty alcohols Beta hydroxy acids and derivatives Fatty acid esters Dicarboxylic acids and derivatives Oxanes Enoate esters Secondary alcohols Cyclic alcohols and derivatives Oxacyclic compounds Polyols Acetals Carboxylic acids Carbonyl compounds Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Triterpene saponin - Triterpenoid - Oligosaccharide - Fatty acyl glycoside - Alkyl glycoside - Glycosyl compound - O-glycosyl compound - Fatty alcohol - Beta-hydroxy acid - Fatty acid ester - Dicarboxylic acid or derivatives - Fatty acyl - Hydroxy acid - Oxane - Enoate ester - Cyclic alcohol - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Secondary alcohol - Acetal - Oxacycle - Polyol - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Primary alcohol - Carbonyl group - Organic oxygen compound - Alcohol - Hydrocarbon derivative - 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