Compound Identification
SMILES
CC(C)(O)[C@@H]1CC[C@@](C)(O1)[C@H]1[C@H](O)C[C@@]2(C)C3C[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C4[C@]5(CC35CC[C@]12C)CCC(O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)C4(C)C
InChIKey
InChIKey=QMNWISYXSJWHRY-CSXKERSZSA-N
Formula
C41H68O14
Mass
784.981
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 Triterpenoids Cycloartanols and derivatives 16-alpha-hydroxysteroids O-glycosyl compounds Oxanes Monosaccharides Tetrahydrofurans Tertiary alcohols Secondary alcohols Cyclic alcohols and derivatives Polyols Oxacyclic compounds Dialkyl ethers Acetals Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cucurbitacin glycoside skeleton - Triterpene saponin - Triterpene glycoside - Cycloartanol-skeleton - Triterpenoid - Cycloartane-skeleton - 9b,19-cyclo-lanostane-skeleton - 16-hydroxysteroid - 16-alpha-hydroxysteroid - Hydroxysteroid - O-glycosyl compound - Glycosyl compound - Oxane - Monosaccharide - Tetrahydrofuran - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Polyol - Ether - Dialkyl ether - Acetal - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - 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