Compound Identification
SMILES
N.N.N.N.N.N.N.N.CC1(C)C(CCC2(C)C1CCC1(C)C2C(=O)C=C2C3CC(C)(CCC3(C)CCC12C)C(O)=O)OC1OC(C(OS(O)(=O)=O)C(OS(O)(=O)=O)C1OC1OC(C(OS(O)(=O)=O)C(OS(O)(=O)=O)C1OS(O)(=O)=O)C(O)=O)C(O)=O
InChIKey
InChIKey=BEXVMDYLGCQWOP-UHFFFAOYSA-N
Formula
C42H86N8O31S5
Mass
1359.48
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
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
Triterpenoids Disaccharide sulfates O-glucuronides O-glycosyl compounds Tricarboxylic acids and derivatives Cyclohexenones Sulfuric acid monoesters Pyrans Oxanes Alkyl sulfates Oxacyclic compounds Carboxylic acids Acetals Organic oxides Organic nitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Triterpene saponin - Triterpenoid - Disaccharide sulfate - O-glucuronide - 1-o-glucuronide - Glucuronic acid or derivatives - O-glycosyl compound - Glycosyl compound - Disaccharide - Tricarboxylic acid or derivatives - Cyclohexenone - Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Pyran - Oxane - Organic sulfuric acid or derivatives - Ketone - Oxacycle - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Acetal - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - 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