Compound Identification
SMILES
CO[C@@H]1C[C@@H](O[C@H]2CC[C@]3(CO)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C2=CC(=O)OC2)O[C@@H](C)[C@@H]1O[C@@H]1O[C@H](CO[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O
InChIKey
InChIKey=TZNYAQHFGVRARB-DTTJZVPFSA-N
Formula
C42H66O19
Mass
874.971
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
Steroidal glycosides 14-hydroxysteroids Disaccharides O-glycosyl compounds Butenolides Oxanes Tertiary alcohols Enoate esters Secondary alcohols Cyclic alcohols and derivatives Lactones Acetals Polyols Oxacyclic compounds Dialkyl ethers Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cardanolide-glycoside - Steroidal glycoside - 19-hydroxysteroid - 14-hydroxysteroid - 5-hydroxysteroid - Hydroxysteroid - Disaccharide - Glycosyl compound - O-glycosyl compound - 2-furanone - Oxane - Cyclic alcohol - Dihydrofuran - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Lactone - Secondary alcohol - Carboxylic acid ester - Polyol - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Acetal - Dialkyl ether - Ether - Oxacycle - Organoheterocyclic compound - Carbonyl group - Primary alcohol - Alcohol - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - 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