Structure Information
Structure

Compound Identification

SMILES

C[C@H]1[C@H]2[C@H](CC3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@H]2O[C@H](CNC(=O)C3=CC=C(C=C3)[N+]([O-])=O)[C@@H](O[C@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@@H]3O)[C@H](O)[C@H]2O[C@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O)O[C@]11CC[C@H](C)CO1

InChIKey

InChIKey=IWTASIUCZUSOAH-CXUBEAKHSA-N

Formula

C52H76N2O18

Mass

1017.176

Export to:

JSON SDF CSV

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 - O-glycosyl compound - Glycosyl compound - Disaccharide - Benzamide - Nitrobenzene - Benzoic acid or derivatives - Nitroaromatic compound - Benzoyl - Ketal - Oxane - Monocyclic benzene moiety - Benzenoid - Tetrahydrofuran - Carboxamide group - Organic nitro compound - C-nitro compound - Secondary alcohol - Secondary carboxylic acid amide - Allyl-type 1,3-dipolar organic compound - Polyol - Acetal - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic zwitterion - Alcohol - Organopnictogen compound - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - 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

Previous Back Next