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
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Steroids and steroid derivatives
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Subclass
Steroidal glycosides
- Level 5 Steroidal saponins
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Subclass
Steroidal glycosides
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Class
Steroids and steroid derivatives
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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
Triterpenoids Spirostanes and derivatives Delta-5-steroids N-acyl-alpha-hexosamines Disaccharides O-glycosyl compounds Benzamides Nitrobenzenes Nitroaromatic compounds Benzoyl derivatives Ketals Oxanes Tetrahydrofurans Secondary carboxylic acid amides Secondary alcohols Organic oxoazanium compounds Oxacyclic compounds Polyols Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Organic zwitterions Organonitrogen compounds Organopnictogen compounds Primary alcohols
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