Compound Identification
SMILES
C[C@@H]1C[C@@]2(NCCS2)C2(O)O[C@@H]3C[C@@]4(CO)[C@@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@H](CC[C@]54CO)C4=CC(=O)OC4)C[C@H]3O[C@@H]2O1
InChIKey
InChIKey=TVEWRDYBCPBMOT-OZLWNRKUSA-N
Formula
C32H47NO8S
Mass
605.79
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
Hydroxysteroids 1,4-dioxanes Butenolides Oxanes Thiazolidines Enoate esters Hemiacetals Lactones Thiohemiaminal derivatives Acetals Azacyclic compounds Dialkylthioethers Oxacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Organopnictogen compounds Hydrocarbon derivatives Organonitrogen compounds Organic oxides Primary alcohols
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cardanolide-glycoside - 19-hydroxysteroid - Hydroxysteroid - Para-dioxane - 2-furanone - Oxane - Dihydrofuran - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Thiazolidine - Carboxylic acid ester - Hemiacetal - Lactone - Acetal - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Dialkylthioether - Monocarboxylic acid or derivatives - Hemithioaminal - Thioether - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Primary alcohol - Organic oxide - 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