Compound Identification
SMILES
C[C@H]([C@@H](O)C\C=C(\C)CO)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](O[C@@H]1O[C@H](C)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)C4(C)C
InChIKey
InChIKey=VTOFOSIXMQXCKK-UZAYUWJGSA-N
Formula
C42H70O12
Mass
767.01
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
Triterpene saponins Simplexides Vitamin D and derivatives Triterpenoids Cycloartanols and derivatives Dihydroxy bile acids, alcohols and derivatives Hydroxysteroids Fatty acyl glycosides of mono- and disaccharides Fatty alcohols Oxanes Monosaccharides Secondary alcohols Oxacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cucurbitacin glycoside skeleton - Triterpene saponin - Triterpene glycoside - Simplexide backbone - Cycloartanol-skeleton - Triterpenoid - Cycloartane-skeleton - 9b,19-cyclo-lanostane-skeleton - 26-hydroxysteroid - Dihydroxy bile acid, alcohol, or derivatives - Hydroxy bile acid, alcohol, or derivatives - 22-hydroxysteroid - Bile acid, alcohol, or derivatives - Hydroxysteroid - Fatty acyl glycoside of mono- or disaccharide - Fatty acyl glycoside - Alkyl glycoside - Fatty alcohol - Fatty acyl - Oxane - Monosaccharide - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen 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