Compound Identification
SMILES
CC(=O)OC[C@H]1O[C@H](O[C@@H]2C[C@]3(C)[C@@H]4CC=C5[C@@H](C[C@H](O)[C@@H](O)C5(C)C)[C@@]4(C)C(=O)C[C@@]3(C)[C@H]2[C@](C)(O)C(=O)\C=C\C(C)(C)O)[C@H](O)[C@H](O)[C@@H]1OC(C)=O
InChIKey
InChIKey=BKTQHBJIJICJIY-RZKMBSFOSA-N
Formula
C40H60O14
Mass
764.906
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
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
Triterpenoids Cucurbitacins 3-hydroxy delta-5-steroids 3-alpha-hydroxysteroids 11-oxosteroids Delta-5-steroids O-glycosyl compounds Oxanes Monosaccharides Dicarboxylic acids and derivatives Acyloins Tertiary alcohols Enones Alpha-hydroxy ketones Acryloyl compounds Secondary alcohols Cyclic alcohols and derivatives Carboxylic acid esters Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cucurbitacin glycoside skeleton - Triterpenoid - Cucurbitacin skeleton - 25-hydroxysteroid - 22-oxosteroid - 21-oxosteroid - 20-hydroxysteroid - 3-alpha-hydroxysteroid - Oxosteroid - 11-oxosteroid - Hydroxysteroid - 2-hydroxysteroid - 3-hydroxysteroid - 3-hydroxy-delta-5-steroid - Delta-5-steroid - O-glycosyl compound - Glycosyl compound - Oxane - Monosaccharide - Dicarboxylic acid or derivatives - Acyloin - Alpha,beta-unsaturated ketone - Tertiary alcohol - Enone - Cyclic alcohol - Alpha-hydroxy ketone - Acryloyl-group - Secondary alcohol - Ketone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - 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 cucurbitacin glycosides. These are polycyclic compounds containing a carbohydrate derivative glycosidically linked to a curcubitane nucleus.
External Descriptors
Not available