Compound Identification
SMILES
CC1OC(OC2CCC3(C=O)C4CCC5(C)C(CCC5(O)C4CCC3(O)C2)C2C=CC(=O)OC2N)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O
InChIKey
InChIKey=QRYPFWAPBINJPW-UHFFFAOYSA-N
Formula
C36H55NO15
Mass
741.828
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 19-oxosteroids 14-hydroxysteroids Disaccharides O-glycosyl compounds Dihydropyranones Oxanes Tertiary alcohols Enoate esters Lactones Cyclic alcohols and derivatives Secondary alcohols Monocarboxylic acids and derivatives Polyols Acetals Oxacyclic compounds Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Primary alcohols Aldehydes
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Bufanolide-glycoside - Steroidal glycoside - 19-oxosteroid - 14-hydroxysteroid - 5-hydroxysteroid - Hydroxysteroid - Oxosteroid - Disaccharide - Glycosyl compound - O-glycosyl compound - Dihydropyranone - Oxane - Pyran - Cyclic alcohol - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Secondary alcohol - Carboxylic acid ester - Lactone - Polyol - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Acetal - Organoheterocyclic compound - Oxacycle - Aldehyde - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Primary aliphatic amine - Alcohol - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Primary alcohol - 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