Compound Identification
SMILES
C[C@@H]1C[C@@]2(N[C@@H](CC(=O)C3=CC=CC=C3)CS2)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=BYTWOMUBXUMKOE-GYPJKZFISA-N
Formula
C40H53NO9S
Mass
723.92
Taxonomic Classification
Taxonomy Tree
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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
Hydroxysteroids Alkyl-phenylketones Benzoyl derivatives Aryl alkyl ketones 1,4-dioxanes Oxanes Butenolides Thiazolidines Enoate esters Hemiacetals Lactones Azacyclic compounds Monocarboxylic acids and derivatives Acetals Dialkylthioethers Oxacyclic compounds Thiohemiaminal derivatives Hydrocarbon derivatives Organic oxides Organonitrogen compounds Aldehydes Organopnictogen compounds Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cardanolide-glycoside - 19-hydroxysteroid - Hydroxysteroid - Alkyl-phenylketone - Phenylketone - Benzoyl - Aryl alkyl ketone - Aryl ketone - Monocyclic benzene moiety - Para-dioxane - Oxane - Benzenoid - 2-furanone - Thiazolidine - Dihydrofuran - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Hemiacetal - Ketone - Lactone - Thioether - Hemithioaminal - Monocarboxylic acid or derivatives - Dialkylthioether - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Acetal - Oxacycle - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Alcohol - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aldehyde - Primary alcohol - Organonitrogen compound - Aromatic 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