Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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