Structure Information
Structure

Compound Identification

SMILES

C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H](O)[C@H]2NC(=O)C2=CC(=CC(=C2)[N+]([O-])=O)[N+]([O-])=O)O[C@]11CC[C@@H](C)CO1

InChIKey

InChIKey=CWGNPQLBELCZSW-NSDVRNASSA-N

Formula

C46H65N3O16

Mass

916.031

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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

Aromatic heteropolycyclic compounds

Substituents

Steroidal saponin - Triterpenoid - Spirostane skeleton - Delta-5-steroid - N-acyl-alpha-hexosamine - O-glycosyl compound - Glycosyl compound - Disaccharide - Benzamide - Nitrobenzene - Benzoic acid or derivatives - Benzoyl - Nitroaromatic compound - Ketal - Oxane - Benzenoid - Monocyclic benzene moiety - Tetrahydrofuran - C-nitro compound - Secondary carboxylic acid amide - Carboxamide group - Secondary alcohol - Organic nitro compound - Acetal - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Polyol - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Organic zwitterion - Primary alcohol - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Alcohol - Aromatic 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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