Compound Identification
SMILES
CCCCCCCCCCCOC(=O)[C@@]1(C)CCC2(C)CC[C@]3(C)C(=CC(=O)C4C5(C)CCC(O[C@@H]6O[C@H](COS(O)(=O)=O)[C@@H](O[C@@H]7O[C@H](COS(O)(=O)=O)[C@H](OS(O)(=O)=O)[C@H](OS(O)(=O)=O)[C@H]7OS(O)(=O)=O)[C@H](OS(O)(=O)=O)[C@H]6OS(O)(=O)=O)C(C)(C)C5CCC34C)C2C1
InChIKey
InChIKey=MHUHDBLQGMXHCR-LZKQLAKSSA-N
Formula
C53H88O35S7
Mass
1509.67
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
Simplexides Triterpenoids Fatty acyl glycosides of mono- and disaccharides Fatty acid esters Cyclohexenones Sulfuric acid monoesters Oxanes Monosaccharides Alkyl sulfates Enones Acryloyl compounds Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Triterpene saponin - Simplexide backbone - Triterpenoid - Fatty acyl glycoside of mono- or disaccharide - Fatty acyl glycoside - Alkyl glycoside - Cyclohexenone - Fatty acid ester - Fatty acyl - Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Oxane - Monosaccharide - Alpha,beta-unsaturated ketone - Organic sulfuric acid or derivatives - Enone - Acryloyl-group - Ketone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - 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