Compound Identification
SMILES
CC(C)(O)CCC(=O)[C@@](C)(O)[C@H]1[C@H](O)C[C@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O[C@H]5O[C@@H](COC(=O)\C=C\C6=CC=CC=C6)[C@H](O)[C@@H](O)[C@@H]5O)[C@H](O)C4(C)C)[C@@]3(C)CC[C@@]12C
InChIKey
InChIKey=MTILJNXOAHQLMO-RGYNOFHVSA-N
Formula
C45H66O12
Mass
799.011
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 Oxosteroids 3-beta-hydroxysteroids 3-beta-hydroxy delta-5-steroids 16-alpha-hydroxysteroids Delta-5-steroids Cinnamic acid esters O-glycosyl compounds Styrenes Fatty acid esters Oxanes Monosaccharides Acyloins Tertiary alcohols Enoate esters Alpha-hydroxy ketones Secondary alcohols Cyclic alcohols and derivatives Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Acetals Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cucurbitacin glycoside skeleton - Triterpenoid - Cucurbitacin skeleton - 25-hydroxysteroid - 22-oxosteroid - 21-oxosteroid - 20-hydroxysteroid - 3-beta-hydroxysteroid - 16-hydroxysteroid - 16-alpha-hydroxysteroid - 3-beta-hydroxy-delta-5-steroid - Oxosteroid - Hydroxysteroid - 3-hydroxysteroid - 3-hydroxy-delta-5-steroid - Delta-5-steroid - Cinnamic acid ester - Cinnamic acid or derivatives - O-glycosyl compound - Glycosyl compound - Styrene - Fatty acid ester - Fatty acyl - Benzenoid - Oxane - Monosaccharide - Monocyclic benzene moiety - Acyloin - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Cyclic alcohol - Alpha-hydroxy ketone - Secondary alcohol - Ketone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Polyol - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aromatic 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