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](CNC(=O)C3=CC=CC=C3I)[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=UDJBYUZJKGLGNI-ZSIFUHBTSA-N
Formula
C52H76INO16
Mass
1098.075
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 Disaccharides O-glycosyl compounds 2-halobenzoic acids and derivatives Benzamides Benzoyl derivatives Ketals Iodobenzenes Oxanes Aryl iodides Vinylogous halides Tetrahydrofurans Secondary carboxylic acid amides Secondary alcohols Polyols Oxacyclic compounds Organoiodides Organonitrogen compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Steroidal saponin - Triterpenoid - Spirostane skeleton - Delta-5-steroid - Glycosyl compound - Disaccharide - O-glycosyl compound - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzamide - Benzoyl - Ketal - Iodobenzene - Halobenzene - Monocyclic benzene moiety - Benzenoid - Oxane - Aryl iodide - Aryl halide - Vinylogous halide - Tetrahydrofuran - Carboxamide group - Secondary alcohol - Secondary carboxylic acid amide - Acetal - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Polyol - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organoiodide - Organohalogen 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