Compound Identification
SMILES
CC1CC(OC(C)=O)C(O)C(OC2CCC3(C=O)C4C(O)C(=O)C5(C)C(CCC5(O)C4CCC3(O)C2)C2=COC(=O)C3OC23)O1
InChIKey
InChIKey=AJVXCBZAODRGOB-UHFFFAOYSA-N
Formula
C32H42O13
Mass
634.675
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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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
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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 19-oxosteroids Diterpene lactones 11-hydroxysteroids 14-hydroxysteroids Diterpenoids Dihydropyranones Oxanes Dicarboxylic acids and derivatives Tertiary alcohols Enol esters Secondary alcohols Lactones Ketones Cyclic alcohols and derivatives Polyols Oxacyclic compounds Acetals Epoxides Dialkyl ethers Hydrocarbon derivatives Organic oxides Aldehydes
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Bufanolide-glycoside - Diterpene glycoside - Steroidal glycoside - Diterpenoid - Diterpene lactone - 19-oxosteroid - 11-hydroxysteroid - 5-hydroxysteroid - Hydroxysteroid - Oxosteroid - 12-oxosteroid - 14-hydroxysteroid - Terpene glycoside - Dihydropyranone - Oxane - Dicarboxylic acid or derivatives - Tertiary alcohol - Cyclic alcohol - Enol ester - Carboxylic acid ester - Secondary alcohol - Lactone - Ketone - Polyol - Organoheterocyclic compound - Oxacycle - Dialkyl ether - Acetal - Carboxylic acid derivative - Oxirane - Ether - Organooxygen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Aldehyde - 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