Compound Identification
SMILES
C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]1[C@@H](O)C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3CC[C@@]4(C)[C@H](CCC5C4C[C@@H](O)[C@]4(C)[C@H](CC[C@]54O)C4=CC(=O)OC4)C3)O[C@@H]2C)O[C@@H]1C
InChIKey
InChIKey=LTMHDMANZUZIPE-QVYPYPLASA-N
Formula
C41H64O14
Mass
780.949
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
Steroidal glycosides Oligosaccharides 14-hydroxysteroids 12-hydroxysteroids O-glycosyl compounds Oxanes Butenolides Tertiary alcohols Enoate esters Secondary alcohols Lactones Cyclic alcohols and derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Acetals Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cardanolide-glycoside - Steroidal glycoside - Oligosaccharide - Hydroxysteroid - 14-hydroxysteroid - 12-hydroxysteroid - O-glycosyl compound - Glycosyl compound - Oxane - 2-furanone - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Dihydrofuran - Cyclic alcohol - Secondary alcohol - Lactone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - 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