Compound Identification
SMILES
CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1CC[C@](C)(O1)[C@H]1[C@@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6OC[C@](O)(CO)[C@H]6O)[C@H](O)[C@H]5O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
InChIKey
InChIKey=WGGACDXEPWKQML-FKAOFOEMSA-N
Formula
C47H76O19
Mass
945.106
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 11-oxosteroids 14-alpha-methylsteroids 16-beta-hydroxysteroids Delta-5-steroids O-glycosyl compounds Disaccharides Oxanes Tetrahydrofurans Tertiary alcohols Secondary alcohols Cyclic alcohols and derivatives Ketones Oxacyclic compounds Acetals Dialkyl ethers Polyols Organic oxides Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cucurbitacin glycoside skeleton - Cucurbitacin skeleton - Triterpenoid - 14-alpha-methylsteroid - 16-hydroxysteroid - 16-beta-hydroxysteroid - Hydroxysteroid - 11-oxosteroid - Oxosteroid - Delta-5-steroid - Disaccharide - Glycosyl compound - O-glycosyl compound - Oxane - Cyclic alcohol - Tetrahydrofuran - Tertiary alcohol - Secondary alcohol - Ketone - Polyol - Dialkyl ether - Oxacycle - Ether - Organoheterocyclic compound - Acetal - Hydrocarbon derivative - Primary alcohol - Alcohol - Carbonyl group - Organic oxygen compound - Organic oxide - 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