Compound Identification
SMILES
[Na+].CO[C@H]1[C@H](O)CO[C@@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](C)O[C@@H](O[C@@H]4[C@@H](O)[C@@H](CO[C@H]4O[C@H]4CC[C@]5(C)[C@@H]6CC[C@]78[C@H](CC[C@@]7(C)C6=CC[C@H]5C4(C)C)[C@](C)(CC(=O)CC(C)C)OC8=O)OS([O-])(=O)=O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]3O)[C@@H]2O)[C@@H]1O
InChIKey
InChIKey=WKYKLMMDNBMFMR-PVOITVPUSA-M
Formula
C59H93NaO29S
Mass
1321.41
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
- Subclass Triterpenoids
-
Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Triterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Triterpenoids
Alternative Parents
Steroidal glycosides Oligosaccharides Bile acids, alcohols and derivatives O-glycosyl compounds Sulfuric acid monoesters Oxanes Gamma butyrolactones Alkyl sulfates Tetrahydrofurans Secondary alcohols Ketones Carboxylic acid esters Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Acetals Primary alcohols Organic sodium salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Triterpenoid - Steroidal glycoside - Oligosaccharide - Bile acid, alcohol, or derivatives - O-glycosyl compound - Glycosyl compound - Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Oxane - Gamma butyrolactone - Tetrahydrofuran - Organic sulfuric acid or derivatives - Secondary alcohol - Lactone - Ketone - Carboxylic acid ester - Oxacycle - Organic alkali metal salt - Organoheterocyclic compound - Polyol - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid derivative - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Primary alcohol - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.
External Descriptors
Not available