Compound Identification
SMILES
CC(=O)OC1CC2(O)C(CCC3(C)C(CCC23O)C2COC(=O)C=C2)C2(C)CCC(OC3OC(CO)C(O)C(O)C3O)C=C12
InChIKey
InChIKey=DUQALKMYYUDKNZ-UHFFFAOYSA-N
Formula
C32H46O12
Mass
622.708
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
-
Subclass
Steroid lactones
- Level 5 Bufanolides and derivatives
-
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
Steroidal glycosides Steroid esters 14-hydroxysteroids Delta-4-steroids O-glycosyl compounds Dihydropyranones Dicarboxylic acids and derivatives Monosaccharides Oxanes Enoate esters Tertiary alcohols Lactones Secondary alcohols Cyclic alcohols and derivatives Polyols Acetals Oxacyclic compounds Hydrocarbon derivatives Primary alcohols Organic oxides Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Bufanolide-glycoside - Steroidal glycoside - Steroid ester - 14-hydroxysteroid - Hydroxysteroid - Delta-4-steroid - O-glycosyl compound - Glycosyl compound - Dihydropyranone - Pyran - Dicarboxylic acid or derivatives - Oxane - Monosaccharide - Enoate ester - Tertiary alcohol - Alpha,beta-unsaturated carboxylic ester - Cyclic alcohol - Carboxylic acid ester - Secondary alcohol - Lactone - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Acetal - Polyol - Primary alcohol - Alcohol - Organic oxygen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - 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