Compound Identification
SMILES
[H][C@]1(O)C[C@@]2(C)[C@]3([H])C[C@]([H])(O[C@]4([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]4([H])O)[C@@]4([H])[C@]5(C[C@@]35CC[C@]2(C)[C@]1([H])[C@@]1(C)CC[C@]([H])(O1)C(C)(C)O)CC[C@]([H])(O[C@]1([H])OC[C@@]([H])(O)[C@]([H])(OC(C)=O)[C@@]1([H])OC(C)=O)C4(C)C
InChIKey
InChIKey=KXHCYYSIAXMSPA-DIWSAHTISA-N
Formula
C45H72O16
Mass
869.055
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 16-beta-hydroxysteroids O-glycosyl compounds Oxanes Monosaccharides Dicarboxylic acids and derivatives Tetrahydrofurans Tertiary alcohols Cyclic alcohols and derivatives Carboxylic acid esters Secondary alcohols Polyols Oxacyclic compounds Dialkyl ethers Acetals Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cucurbitacin glycoside skeleton - Triterpene saponin - Triterpene glycoside - Cycloartanol-skeleton - 9b,19-cyclo-lanostane-skeleton - Triterpenoid - Cycloartane-skeleton - 16-hydroxysteroid - 16-beta-hydroxysteroid - Hydroxysteroid - Glycosyl compound - O-glycosyl compound - Dicarboxylic acid or derivatives - Monosaccharide - Oxane - Cyclic alcohol - Tetrahydrofuran - Tertiary alcohol - Secondary alcohol - Carboxylic acid ester - Polyol - Carboxylic acid derivative - Oxacycle - Acetal - Organoheterocyclic compound - Dialkyl ether - Ether - Primary alcohol - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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