Compound Identification
SMILES
CC(C)C(=O)CC[C@@H](C)[C@H]1[C@@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35C[C@H](O)[C@]12C)CC[C@H](O[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)C4(C)C
InChIKey
InChIKey=PAPPQHPMLOZLCJ-RINLFHFOSA-N
Formula
C42H70O14
Mass
799.008
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
Steroidal glycosides
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Level 5
Steroidal saponins
- Level 6 Cucurbitacin glycosides
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Level 5
Steroidal saponins
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Subclass
Steroidal glycosides
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Class
Steroids and steroid derivatives
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Subclass
Steroidal glycosides
Intermediate Tree Nodes
Steroidal saponins
Direct Parent
Cucurbitacin glycosides
Alternative Parents
Triterpene saponins Triterpenoids Cycloartanols and derivatives Dihydroxy bile acids, alcohols and derivatives 12-hydroxysteroids 16-beta-hydroxysteroids Oxosteroids O-glycosyl compounds Disaccharides Oxanes Ketones Secondary alcohols Cyclic alcohols and derivatives Oxacyclic compounds Acetals Polyols Organic oxides Hydrocarbon derivatives Primary alcohols
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cucurbitacin glycoside skeleton - Triterpene saponin - Triterpene glycoside - Cycloartanol-skeleton - 9b,19-cyclo-lanostane-skeleton - Cycloartane-skeleton - Triterpenoid - Dihydroxy bile acid, alcohol, or derivatives - 24-oxosteroid - Hydroxy bile acid, alcohol, or derivatives - Bile acid, alcohol, or derivatives - 16-hydroxysteroid - 16-beta-hydroxysteroid - 12-hydroxysteroid - Hydroxysteroid - Oxosteroid - O-glycosyl compound - Glycosyl compound - Disaccharide - Oxane - Cyclic alcohol - Ketone - Secondary alcohol - Polyol - Organoheterocyclic compound - Oxacycle - Acetal - Primary alcohol - Organic oxide - Alcohol - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cucurbitacin glycosides. These are polycyclic compounds containing a carbohydrate derivative glycosidically linked to a curcubitane nucleus.
External Descriptors
Not available