Compound Identification
SMILES
CC(C)C1=CC(=O)C(C)(O1)C1C(O)CC2(C)C3CC=C4C(CCC(OC5OC(CO)C(O)C(O)C5OC5OC(C)C(O)C(O)C5O)C4(C)C)C3(C)C(=O)CC12C
InChIKey
InChIKey=YRQJYHITIWJZQN-UHFFFAOYSA-N
Formula
C42H64O14
Mass
792.96
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
Triterpenoids Cucurbitacins 11-oxosteroids 16-hydroxysteroids Delta-5-steroids Disaccharides O-glycosyl compounds Oxanes Furanones Vinylogous esters Secondary alcohols Cyclic alcohols and derivatives Cyclic ketones Acetals Polyols Oxacyclic compounds Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cucurbitacin glycoside skeleton - Cucurbitacin skeleton - Triterpenoid - 21-oxosteroid - Hydroxysteroid - 16-hydroxysteroid - 11-oxosteroid - Oxosteroid - Delta-5-steroid - Disaccharide - Glycosyl compound - O-glycosyl compound - 3-furanone - Oxane - Cyclic alcohol - Dihydrofuran - Vinylogous ester - Secondary alcohol - Cyclic ketone - Ketone - Polyol - Oxacycle - Acetal - Organoheterocyclic compound - Hydrocarbon derivative - Alcohol - Organic oxide - Organic oxygen compound - Organooxygen compound - Primary alcohol - Carbonyl group - 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