Compound Identification
SMILES
CC1OC(OC2CCC3(C)C4CCC5(C)C(CCC5(O)C4CCC3=C2)C2=COC(=O)C3OC23)C(O)C(O)C1O
InChIKey
InChIKey=PBODULKLSKNURR-UHFFFAOYSA-N
Formula
C30H42O9
Mass
546.657
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 14-hydroxysteroids Delta-4-steroids Hexoses O-glycosyl compounds Dihydropyranones Oxanes Tertiary alcohols Enol esters Secondary alcohols Cyclic alcohols and derivatives Lactones Polyols Acetals Oxacyclic compounds Epoxides Monocarboxylic acids and derivatives Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Bufanolide-glycoside - Steroidal glycoside - 14-hydroxysteroid - Hydroxysteroid - Delta-4-steroid - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Dihydropyranone - Oxane - Monosaccharide - Cyclic alcohol - Enol ester - Tertiary alcohol - Secondary alcohol - Carboxylic acid ester - Lactone - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Ether - Oxirane - Dialkyl ether - Acetal - Polyol - Oxacycle - Carboxylic acid derivative - Alcohol - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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