Compound Identification
SMILES
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@H]3C[C@@H]4C(=CC[C@H]5[C@]6(C)C[C@H]7O[C@H](C[C@](C)(O)[C@@H]7[C@@]6(C)CC(=O)[C@@]45C)C=C(C)C)C(C)(C)C3=O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O
InChIKey
InChIKey=SAJXWBGTVFEDCT-LHXDPTSOSA-N
Formula
C42H64O14
Mass
792.96
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
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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-5-steroids Hydroxysteroids Delta-5-steroids Diterpenoids Disaccharides O-glycosyl compounds Oxanes Tertiary alcohols Secondary alcohols Cyclic ketones Dialkyl ethers Oxacyclic compounds Acetals Polyols Primary alcohols Aldehydes Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cucurbitacin glycoside skeleton - Diterpene glycoside - 20-hydroxysteroid - Diterpenoid - 3-oxo-delta-5-steroid - 3-oxosteroid - 14-alpha-methylsteroid - Hydroxysteroid - 11-oxosteroid - Oxosteroid - Delta-5-steroid - Terpene glycoside - Disaccharide - O-glycosyl compound - Glycosyl compound - 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