Compound Identification
SMILES
COC(C)(C)[C@@H]1CC(=O)[C@@H](C)[C@H]2[C@@H](C[C@@]3(C)[C@@H]4CC=C5[C@@H](C=C(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(=O)C5(C)C)[C@]4(C)C(=O)C[C@]23C)O1
InChIKey
InChIKey=CJXFVEKXQMCNNX-PXFOUFEQSA-N
Formula
C37H54O11
Mass
674.828
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 Delta-1-steroids Diterpenoids Hexoses O-glycosyl compounds Cyclohexenones Oxepanes Oxanes Secondary alcohols Oxacyclic compounds Dialkyl ethers Acetals Polyols Primary alcohols Aldehydes Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cucurbitacin glycoside skeleton - Diterpene glycoside - Diterpenoid - 3-oxo-delta-1-steroid - 3-oxosteroid - 14-alpha-methylsteroid - 11-oxosteroid - Oxosteroid - Delta-1-steroid - Terpene glycoside - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Oxepane - Cyclohexenone - Oxane - Monosaccharide - Secondary alcohol - Cyclic ketone - Ketone - Polyol - Acetal - Dialkyl ether - Oxacycle - Organoheterocyclic compound - Ether - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Primary alcohol - Alcohol - Aldehyde - Organic oxygen compound - Organic oxide - 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