Compound Identification
SMILES
C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C=C[C@]35OC[C@@]6(CC[C@@](C)(CO)C[C@@H]36)[C@@H](O)C[C@@]45C)[C@]2(C)CO)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](OS([O-])(=O)=O)[C@H](O)[C@H]2O)[C@H]1O
InChIKey
InChIKey=CDMIHLDSCJTRAJ-DIJSWFOXSA-M
Formula
C48H77O22S
Mass
1038.18
Taxonomic Classification
Taxonomy Tree
-
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 Steroids and steroid derivatives Disaccharide sulfates O-glycosyl compounds Oxepanes Sulfuric acid monoesters Alkyl sulfates Oxanes Tetrahydrofurans Secondary alcohols Cyclic alcohols and derivatives Acetals Polyols Dialkyl ethers Oxacyclic compounds Primary alcohols Hydrocarbon derivatives Organic oxides Organic anions
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Triterpene saponin - Triterpenoid - Steroid - Disaccharide sulfate - Disaccharide - Glycosyl compound - O-glycosyl compound - Oxepane - Sulfuric acid ester - Oxane - Alkyl sulfate - Sulfuric acid monoester - Sulfate-ester - Cyclic alcohol - Tetrahydrofuran - Organic sulfuric acid or derivatives - Secondary alcohol - Oxacycle - Dialkyl ether - Acetal - Ether - Organoheterocyclic compound - Polyol - Alcohol - Organic oxygen compound - Primary alcohol - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic anion - 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