Compound Identification
SMILES
COC1C(O)C(CO)OC(OC2C(O)COC(OC3C(C)OC(OC4C(O)C(COC4OC4CCC5(C)C6CCC78C(C(=O)CC7(C)C6=CCC5C4(C)C)C(C)(CC(=O)CC(C)C)OC8=O)OS(O)(=O)=O)C(O)C3O)C2OS(O)(=O)=O)C1O
InChIKey
InChIKey=PCNIQSXRCOBXDA-UHFFFAOYSA-N
Formula
C53H82O28S2
Mass
1231.33
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
- Subclass Triterpenoids
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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
Triterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Triterpenoids
Alternative Parents
Steroidal glycosides Oligosaccharides Bile acids, alcohols and derivatives 16-oxosteroids O-glycosyl compounds Sulfuric acid monoesters Oxanes Alkyl sulfates Gamma butyrolactones Tetrahydrofurans Secondary alcohols Carboxylic acid esters Ketones Acetals Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Triterpenoid - Steroidal glycoside - Oligosaccharide - Bile acid, alcohol, or derivatives - 16-oxosteroid - Oxosteroid - Steroid - Glycosyl compound - O-glycosyl compound - Gamma butyrolactone - Oxane - Sulfuric acid ester - Alkyl sulfate - Sulfuric acid monoester - Sulfate-ester - Tetrahydrofuran - Organic sulfuric acid or derivatives - Secondary alcohol - Carboxylic acid ester - Lactone - Ketone - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Monocarboxylic acid or derivatives - Dialkyl ether - Acetal - Ether - Carbonyl group - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organic oxygen compound - 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