Compound Identification
SMILES
[Na+].C[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](CO[C@H]2O[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]4C3=C[C@H](O)[C@]35C(=O)O[C@@](C)([C@H]6CCC(C)(C)O6)[C@@]3(O)CC[C@@]45C)C2(C)C)OS([O-])(=O)=O)[C@H](O)[C@@H](O)[C@@H]1O
InChIKey
InChIKey=XPKZSKANINADOD-CWUUJGLNSA-M
Formula
C41H63NaO17S
Mass
882.99
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
-
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 Steroidal glycosides Steroid lactones 12-hydroxysteroids 17-hydroxysteroids Disaccharides O-glycosyl compounds Sulfuric acid monoesters Oxanes Alkyl sulfates Gamma butyrolactones Tetrahydrofurans Tertiary alcohols Secondary alcohols Carboxylic acid esters Cyclic alcohols and derivatives Dialkyl ethers Acetals Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Organic sodium salts Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Triterpene saponin - Triterpenoid - Steroidal glycoside - Steroid lactone - 12-hydroxysteroid - Hydroxysteroid - 17-hydroxysteroid - Steroid - Disaccharide - Glycosyl compound - O-glycosyl compound - Gamma butyrolactone - Oxane - Sulfuric acid monoester - Sulfate-ester - Sulfuric acid ester - Alkyl sulfate - Tetrahydrofuran - Tertiary alcohol - Organic sulfuric acid or derivatives - Cyclic alcohol - Carboxylic acid ester - Secondary alcohol - Lactone - Organoheterocyclic compound - Carboxylic acid derivative - Polyol - Organic alkali metal salt - Monocarboxylic acid or derivatives - Oxacycle - Dialkyl ether - Acetal - Ether - Organic salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Alcohol - Organic sodium salt - 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