Compound Identification
SMILES
C[C@@H]1C[C@@]2(NC(=O)CS2)C2(O)O[C@@H]3C[C@@]4(COC(=O)CCC(C)=O)[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=FCWHOWSMVHUVPC-KEUKMLKGSA-N
Formula
C37H51NO11S
Mass
717.87
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Steroids and steroid derivatives
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Subclass
Steroid lactones
- Level 5 Cardenolides and derivatives
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Subclass
Steroid lactones
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Class
Steroids and steroid derivatives
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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
Gamma-keto acids and derivatives Fatty acid esters 1,4-dioxanes Butenolides Dicarboxylic acids and derivatives Oxanes Thiazolidines Enoate esters Secondary carboxylic acid amides Hemiacetals Ketones Lactams Lactones Acetals Oxacyclic compounds Dialkylthioethers Azacyclic compounds Thiohemiaminal derivatives Organonitrogen compounds Organopnictogen compounds Primary alcohols Hydrocarbon derivatives Aldehydes Organic oxides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cardanolide-glycoside - Gamma-keto acid - Fatty acid ester - 2-furanone - Oxane - Para-dioxane - Dicarboxylic acid or derivatives - Keto acid - Fatty acyl - Thiazolidine - Dihydrofuran - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Lactam - Carboxamide group - Secondary carboxylic acid amide - Hemiacetal - Carboxylic acid ester - Ketone - Lactone - Acetal - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Dialkylthioether - Hemithioaminal - Thioether - Alcohol - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Aldehyde - Organic oxygen compound - Carbonyl group - Organopnictogen compound - Primary alcohol - Organooxygen compound - Organonitrogen compound - 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