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)C23OC2OC(=O)C=C3)O1
InChIKey
InChIKey=DWGMUVJUESHDJA-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
Steroidal glycosides 19-oxosteroids 11-hydroxysteroids 14-hydroxysteroids Enol ester epoxides Dihydropyranones Oxanes Dicarboxylic acids and derivatives Tertiary alcohols Enoate esters Secondary alcohols Cyclic alcohols and derivatives Lactones Ketones Polyols Oxacyclic compounds Acetals Aldehydes Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Bufanolide-glycoside - Steroidal glycoside - 19-oxosteroid - 14-hydroxysteroid - 5-hydroxysteroid - Hydroxysteroid - 12-oxosteroid - Oxosteroid - 11-hydroxysteroid - Enol ester epoxide - Dihydropyranone - Dicarboxylic acid or derivatives - Oxane - Pyran - Tertiary alcohol - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Cyclic alcohol - Secondary alcohol - Carboxylic acid ester - Lactone - Ketone - Polyol - Carboxylic acid derivative - Organoheterocyclic compound - Acetal - Oxirane - Oxacycle - Organooxygen compound - Alcohol - Aldehyde - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - 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