Compound Identification
SMILES
C[C@@](O)(CO)[C@@H]1CC[C@](C)(O1)[C@H]1[C@H](O)C[C@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)C(=O)C4(C)C)[C@@]3(C)C(=O)C[C@@]12C
InChIKey
InChIKey=YEBCXEIAFYZUEM-AKZZPQAJSA-N
Formula
C36H56O12
Mass
680.832
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
-
Subclass
Steroidal glycosides
-
Level 5
Steroidal saponins
- Level 6 Cucurbitacin glycosides
-
Level 5
Steroidal saponins
-
Subclass
Steroidal glycosides
-
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
Triterpenoids Cucurbitacins 3-oxo delta-5-steroids 16-alpha-hydroxysteroids 11-oxosteroids Delta-5-steroids O-glycosyl compounds Oxanes Monosaccharides Tetrahydrofurans Tertiary alcohols Secondary alcohols Cyclic ketones Cyclic alcohols and derivatives Polyols Oxacyclic compounds Dialkyl ethers Acetals Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cucurbitacin glycoside skeleton - Triterpenoid - Cucurbitacin skeleton - 16-hydroxysteroid - 16-alpha-hydroxysteroid - Oxosteroid - 11-oxosteroid - Hydroxysteroid - 3-oxosteroid - 3-oxo-delta-5-steroid - Delta-5-steroid - O-glycosyl compound - Glycosyl compound - Oxane - Monosaccharide - Tetrahydrofuran - Tertiary alcohol - Cyclic alcohol - Cyclic ketone - Secondary alcohol - Ketone - Oxacycle - Organoheterocyclic compound - Polyol - Ether - Dialkyl ether - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Carbonyl group - 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