Compound Identification
SMILES
C[C@H](NC(=O)OCC(Cl)(Cl)Cl)[C@H]1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OCCCCCCS[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
InChIKey
InChIKey=COMPJYVMMXMORN-BPGIMWBVSA-N
Formula
C36H58Cl3NO8S
Mass
771.27
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
-
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
Not available
Direct Parent
Steroidal saponins
Alternative Parents
Pregnane steroids Pregnane-type alkaloids Azasteroids and derivatives Delta-5-steroids Hexoses Thioglycosides Alkaloids and derivatives Oxanes Carbamate esters Monothioacetals Secondary alcohols Sulfenyl compounds Polyols Oxacyclic compounds Dialkyl ethers Primary alcohols Alkyl chlorides Carbonyl compounds Organonitrogen compounds Hydrocarbon derivatives Organochlorides Organic oxides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Steroidal saponin - 22-azasteroid - Pregnane-skeleton - Steroidal alkaloid - Pregnane-type alkaloid - Azasteroid - Delta-5-steroid - Hexose monosaccharide - Glycosyl compound - S-glycosyl compound - Alkaloid or derivatives - Monosaccharide - Oxane - Monothioacetal - Carbamic acid ester - Secondary alcohol - Dialkyl ether - Ether - Oxacycle - Organoheterocyclic compound - Sulfenyl compound - Polyol - Organohalogen compound - Organic nitrogen compound - Alkyl halide - Alkyl chloride - Hydrocarbon derivative - Alcohol - Organic oxide - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary alcohol - Organic oxygen compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as steroidal saponins. These are saponins in which the aglycone moiety is a steroid. The steroidal aglycone is usually a spirostane, furostane, spirosolane, solanidane, or curcubitacin derivative.
External Descriptors
Not available