Compound Identification
SMILES
C[C@H](CC[C@H](OC1OCC(O)C(O)C1O)C(C)(C)O)C1CC[C@@]2(C)C3[C@@H](O)CC4[C@]5(C[C@@]35CC[C@]12C)[C@@H](O)C[C@H](OC1OC(C)C(O)C(O)C1O)C4(C)C
InChIKey
InChIKey=JMQANMQRQDNDDA-HONHFKFVSA-N
Formula
C41H70O13
Mass
770.998
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
-
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
-
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 Trihydroxy bile acids, alcohols and derivatives 1-hydroxysteroids 7-alpha-hydroxysteroids O-glycosyl compounds Oxanes Monosaccharides Tertiary alcohols Cyclic alcohols and derivatives Secondary alcohols Polyols Acetals Oxacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cucurbitacin glycoside skeleton - Triterpene saponin - Triterpene glycoside - Cycloartanol-skeleton - 9b,19-cyclo-lanostane-skeleton - Cycloartane-skeleton - Triterpenoid - 25-hydroxysteroid - Trihydroxy bile acid, alcohol, or derivatives - Hydroxy bile acid, alcohol, or derivatives - Bile acid, alcohol, or derivatives - 7-hydroxysteroid - 7-alpha-hydroxysteroid - 1-hydroxysteroid - Hydroxysteroid - O-glycosyl compound - Glycosyl compound - Monosaccharide - Oxane - Cyclic alcohol - Tertiary alcohol - Secondary alcohol - Oxacycle - Acetal - Organoheterocyclic compound - Polyol - Organooxygen compound - Hydrocarbon derivative - Alcohol - Organic oxygen 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