Compound Identification
SMILES
CC(=O)OC1CC2(O)C(CCC3(C)C(CCC23O)C23OC2OC(=O)C=C3)C2(C)CCC(OC3OC(CO)C(O)C(O)C3O)C=C12
InChIKey
InChIKey=AONWVPXNZKJIMC-UHFFFAOYSA-N
Formula
C32H44O13
Mass
636.691
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 Hexoses O-glycosyl compounds Enol ester epoxides Dihydropyranones Dicarboxylic acids and derivatives Oxanes Tertiary alcohols Enoate esters Secondary alcohols Cyclic alcohols and derivatives Lactones Oxacyclic compounds Polyols Acetals Primary alcohols Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Bufanolide-glycoside - Steroidal glycoside - Steroid ester - 14-hydroxysteroid - Hydroxysteroid - Delta-4-steroid - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Enol ester epoxide - Dihydropyranone - Dicarboxylic acid or derivatives - Monosaccharide - Oxane - Pyran - Tertiary alcohol - Cyclic alcohol - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Secondary alcohol - Carboxylic acid ester - Lactone - Polyol - Carboxylic acid derivative - Acetal - Oxirane - Oxacycle - Organoheterocyclic compound - Alcohol - Organooxygen compound - Organic oxide - Primary alcohol - Hydrocarbon derivative - 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