Compound Identification
SMILES
CC(C)CC(=O)OC1C(OC2CC3(C)C4CCC5CC4(CCC3C(C2)(C(O)=O)C(O)=O)C(O)C5=C)OC(CO)C(OS(O)(=O)=O)C1OS(O)(=O)=O
InChIKey
InChIKey=AQFATIOBERWBDY-UHFFFAOYSA-N
Formula
C31H46O18S2
Mass
770.81
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
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Subclass
Terpene glycosides
- Level 5 Diterpene 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
Not available
Direct Parent
Diterpene glycosides
Alternative Parents
Kaurane diterpenoids Saccharolipids Fatty acyl glycosides of mono- and disaccharides O-glycosyl compounds Monosaccharide sulfates Tricarboxylic acids and derivatives Fatty acid esters Sulfuric acid monoesters Alkyl sulfates Oxanes Secondary alcohols Carboxylic acid esters Cyclic alcohols and derivatives Carboxylic acids Acetals Oxacyclic compounds Primary alcohols Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Diterpene glycoside - Diterpenoid - Kaurane diterpenoid - Saccharolipid - Fatty acyl glycoside - Fatty acyl glycoside of mono- or disaccharide - Glycosyl compound - O-glycosyl compound - Monosaccharide sulfate - Tricarboxylic acid or derivatives - Fatty acid ester - Fatty acyl - Monosaccharide - Sulfuric acid ester - Oxane - Sulfuric acid monoester - Sulfate-ester - Alkyl sulfate - Organic sulfuric acid or derivatives - Cyclic alcohol - Carboxylic acid ester - Secondary alcohol - Carboxylic acid - Organoheterocyclic compound - Acetal - Oxacycle - Carboxylic acid derivative - Alcohol - Organic oxygen compound - Organooxygen compound - Carbonyl group - Primary alcohol - Organic oxide - Hydrocarbon derivative - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as diterpene glycosides. These are diterpenoids in which an isoprene unit is glycosylated.
External Descriptors
Not available