Compound Identification
SMILES
CC1CC2(SCC=N2)C2(O)OC3CC4(C)C(CC5OC55C4C(O)C(=O)C4(C)C(CCC54O)C4(N)COC(=O)C4)CC3OC2O1
InChIKey
InChIKey=BITSJUPVLHTCDN-UHFFFAOYSA-N
Formula
C31H42N2O10S
Mass
634.74
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
-
Subclass
Steroid lactones
- Level 5 Cardenolides 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
Cardenolides and derivatives
Direct Parent
Cardenolide glycosides and derivatives
Alternative Parents
Oxepanes 1,4-dioxanes Gamma butyrolactones Oxanes Thiazolines Tetrahydrofurans Tertiary alcohols Secondary alcohols Amino acids and derivatives Carboxylic acid esters Cyclic alcohols and derivatives Hemiacetals Ketones Azacyclic compounds Acetals Propargyl-type 1,3-dipolar organic compounds Epoxides Dialkylthioethers Dialkyl ethers Monocarboxylic acids and derivatives Oxacyclic compounds Polyols Imines Hydrocarbon derivatives Monoalkylamines Organic oxides Organopnictogen compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cardanolide-glycoside - Oxepane - Para-dioxane - Gamma butyrolactone - Oxane - Cyclic alcohol - Meta-thiazoline - Tetrahydrofuran - Tertiary alcohol - Amino acid or derivatives - Carboxylic acid ester - Hemiacetal - Ketone - Lactone - Secondary alcohol - Acetal - Carboxylic acid derivative - Dialkyl ether - Oxirane - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Dialkylthioether - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Polyol - Thioether - Organic oxygen compound - Carbonyl group - Imine - Organic nitrogen compound - Organopnictogen compound - Primary aliphatic amine - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Alcohol - Primary amine - Amine - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cardenolide glycosides and derivatives. These are compounds containing a carbohydrate glycosidically bound to the cardenolide moiety.
External Descriptors
Not available