Compound Identification
SMILES
C[C@@H]1C[C@@H](O)[C@@]2(O)O[C@@H]3C[C@]4(C=O)[C@@H](CC[C@@H]5[C@@H]4CC[C@@]4(C)[C@H](CC[C@@]54O)C4=CC(=O)OC4)C[C@H]3O[C@@H]2O1
InChIKey
InChIKey=OWPWFVVPBYFKBG-MSNYXJRXSA-N
Formula
C29H40O9
Mass
532.63
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
19-oxosteroids 14-hydroxysteroids Oxanes Butenolides 1,4-dioxanes Tertiary alcohols Enoate esters Secondary alcohols Lactones Hemiacetals Cyclic alcohols and derivatives Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Acetals Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cardanolide-glycoside - 19-oxosteroid - Oxosteroid - Hydroxysteroid - 14-hydroxysteroid - Oxane - 2-furanone - Para-dioxane - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Dihydrofuran - Cyclic alcohol - Secondary alcohol - Lactone - Hemiacetal - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Polyol - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aldehyde - Alcohol - 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