Compound Identification
SMILES
CC1OC(OC2CCC3(C=O)C4CCC5(C)C(CCC5(O)C4CCC3(C2)OC(C)=O)C2C=CC(=O)OC2N)C(O)C(O)C1O
InChIKey
InChIKey=KPMQUBMKODHPGA-UHFFFAOYSA-N
Formula
C32H47NO11
Mass
621.724
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
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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
Steroidal glycosides Steroid esters 19-oxosteroids 14-hydroxysteroids O-glycosyl compounds Dihydropyranones Dicarboxylic acids and derivatives Monosaccharides Oxanes Enoate esters Tertiary alcohols Secondary alcohols Lactones Cyclic alcohols and derivatives Acetals Polyols Oxacyclic compounds Monoalkylamines Hydrocarbon derivatives Aldehydes Organic oxides Organopnictogen compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Bufanolide-glycoside - Steroidal glycoside - Steroid ester - 19-oxosteroid - 14-hydroxysteroid - Hydroxysteroid - Oxosteroid - Glycosyl compound - O-glycosyl compound - Dihydropyranone - Dicarboxylic acid or derivatives - Monosaccharide - Oxane - Pyran - Tertiary alcohol - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Cyclic alcohol - Secondary alcohol - Carboxylic acid ester - Lactone - Polyol - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Acetal - Aldehyde - Organopnictogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary aliphatic amine - Alcohol - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen 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