Compound Identification
SMILES
C[C@H]1O[C@@H](O[C@@H]2[C@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC2=C[C@@H]3C(=CC[C@H]4[C@]5(C)C[C@H]6O[C@H](C[C@](C)(O)[C@@H]6[C@@]5(C)CC(=O)[C@@]34C)C(O)C(C)(C)O)C(C)(C)C2=O)[C@H](O)[C@H](O)[C@H]1O
InChIKey
InChIKey=LJIPHELFYSCLEX-PJYVQBIYSA-N
Formula
C42H64O16
Mass
824.958
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
Diterpene glycosides 11-oxosteroids 14-alpha-methylsteroids 3-oxo delta-1-steroids Hydroxysteroids Delta-1-steroids Diterpenoids Disaccharides O-glycosyl compounds Cyclohexenones Oxanes Tertiary alcohols Secondary alcohols Oxacyclic compounds Dialkyl ethers Polyols Acetals Organic oxides Aldehydes Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cucurbitacin glycoside skeleton - Diterpene glycoside - 24-hydroxysteroid - 20-hydroxysteroid - Diterpenoid - 3-oxo-delta-1-steroid - 3-oxosteroid - Hydroxysteroid - 14-alpha-methylsteroid - 11-oxosteroid - Oxosteroid - Delta-1-steroid - Terpene glycoside - Disaccharide - O-glycosyl compound - Glycosyl compound - Cyclohexenone - Oxane - Tertiary alcohol - Cyclic ketone - Secondary alcohol - Ketone - Ether - Organoheterocyclic compound - Dialkyl ether - Oxacycle - Polyol - Acetal - Primary alcohol - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Aldehyde - Alcohol - Organooxygen 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