Compound Identification
SMILES
CC1OC(OC2CCC3(C=O)C4CCC5(C)C(CCC5(O)C4CCC3(C2)OC(C)=O)C2=COC(=O)C3OC23)C(O)C(O)C1O
InChIKey
InChIKey=FWHIKAAFWMSZFA-UHFFFAOYSA-N
Formula
C32H44O12
Mass
620.692
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
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Class
Steroids and steroid derivatives
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Subclass
Steroid lactones
- Level 5 Bufanolides and derivatives
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Subclass
Steroid lactones
-
Class
Steroids and steroid derivatives
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Subclass
Steroid lactones
Intermediate Tree Nodes
Bufanolides and derivatives
Direct Parent
Bufanolide glycosides and derivatives
Alternative Parents
Diterpene glycosides Steroidal glycosides Steroid esters Diterpene lactones 19-oxosteroids 14-hydroxysteroids Diterpenoids Hexoses O-glycosyl compounds Dihydropyranones Dicarboxylic acids and derivatives Oxanes Enol esters Tertiary alcohols Lactones Cyclic alcohols and derivatives Secondary alcohols Polyols Oxacyclic compounds Acetals Epoxides Dialkyl ethers Aldehydes Hydrocarbon derivatives Organic oxides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Bufanolide-glycoside - Diterpene glycoside - Steroidal glycoside - Steroid ester - Diterpene lactone - Diterpenoid - 19-oxosteroid - 14-hydroxysteroid - Hydroxysteroid - Oxosteroid - Terpene glycoside - Hexose monosaccharide - O-glycosyl compound - Glycosyl compound - Dihydropyranone - Oxane - Dicarboxylic acid or derivatives - Monosaccharide - Tertiary alcohol - Cyclic alcohol - Enol ester - Secondary alcohol - Carboxylic acid ester - Lactone - Oxacycle - Organoheterocyclic compound - Dialkyl ether - Polyol - Carboxylic acid derivative - Oxirane - Ether - Acetal - Alcohol - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Aldehyde - Carbonyl group - Organic oxygen compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as bufanolide glycosides and derivatives. These are bufanolides that are glycosidically linked to a glucose moiety.
External Descriptors
Not available