Compound Identification
SMILES
C[C@H]1O[C@H](C[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@H]1CC[C@]2(C=O)[C@H]3CC[C@]4(C)[C@H](CC[C@]4(O)[C@@H]3CC[C@]2(O)C1)C1=CC(=O)OC1
InChIKey
InChIKey=KQBVSIZPUWODNU-VRQSBXMXSA-N
Formula
C35H52O14
Mass
696.787
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 19-oxosteroids 14-hydroxysteroids O-glycosyl compounds Disaccharides Oxanes Butenolides Tertiary alcohols Enoate esters Secondary alcohols Cyclic alcohols and derivatives Lactones Polyols Acetals Oxacyclic compounds Monocarboxylic acids and derivatives Primary alcohols Organic oxides Aldehydes Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cardanolide-glycoside - Steroidal glycoside - 19-oxosteroid - 14-hydroxysteroid - 5-hydroxysteroid - Oxosteroid - Hydroxysteroid - Disaccharide - Glycosyl compound - O-glycosyl compound - 2-furanone - Oxane - Cyclic alcohol - Dihydrofuran - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Carboxylic acid ester - Secondary alcohol - Lactone - Polyol - Acetal - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Primary alcohol - Alcohol - Organic oxygen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Aldehyde - 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
CHEBI:63514 : 19-oxo steroid - steroid saponin - 14beta-hydroxy steroid - cardenolide glycoside - 5beta-hydroxy steroid