Compound Identification
SMILES
COC[C@H]1O[C@H](O[C@H]2C[C@H]3C(=CC[C@H]4[C@]5(C)C[C@H]6O[C@H](C[C@](C)(OC)[C@@H]6[C@@]5(C)CC(=O)[C@@]34C)C=C(C)C)C(C)(C)C2=O)[C@H](OC)[C@@H](OC)[C@@H]1O[C@@H]1O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]1OC
InChIKey
InChIKey=IUQLUPGTOYJJHB-JCOHZIGQSA-N
Formula
C49H78O14
Mass
891.149
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 Delta-5-steroids Diterpenoids O-glycosyl compounds Disaccharides Oxanes Cyclic ketones Dialkyl ethers Acetals Oxacyclic compounds Aldehydes Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cucurbitacin glycoside skeleton - Diterpene glycoside - Diterpenoid - 3-oxo-delta-5-steroid - 3-oxosteroid - 14-alpha-methylsteroid - Oxosteroid - 11-oxosteroid - Delta-5-steroid - Terpene glycoside - Disaccharide - O-glycosyl compound - Glycosyl compound - Oxane - Cyclic ketone - Ketone - Organoheterocyclic compound - Dialkyl ether - Oxacycle - Acetal - Ether - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Aldehyde - 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