Compound Identification
SMILES
C[C@H]1C2C(CC3C4CC[C@H]5C[C@H](CC[C@]5(C)C4C(=O)C[C@]23C)O[C@@H]2O[C@@H](CO)[C@@H](O[C@@H]3O[C@@H](COC(=O)NC4=CC(F)=CC=C4)[C@@H](OC(=O)NC4=CC(F)=CC=C4)[C@H](O)[C@@H]3O)[C@H](O)[C@@H]2O)O[C@]11CC[C@@H](C)CO1
InChIKey
InChIKey=PCPZOAWXCNKZQF-MCMKQGFUSA-N
Formula
C53H70F2N2O16
Mass
1029.138
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 11-oxosteroids Phenylcarbamic acid esters Disaccharides O-glycosyl compounds Fluorobenzenes Ketals Oxanes Aryl fluorides Tetrahydrofurans Carbamate esters Secondary alcohols Organic carbonic acids and derivatives Ketones Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds Organopnictogen compounds Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Steroidal saponin - Triterpenoid - Spirostane skeleton - 11-oxosteroid - Oxosteroid - Disaccharide - Glycosyl compound - O-glycosyl compound - Phenylcarbamic acid ester - Ketal - Fluorobenzene - Halobenzene - Benzenoid - Aryl halide - Aryl fluoride - Monocyclic benzene moiety - Oxane - Carbamic acid ester - Tetrahydrofuran - Secondary alcohol - Ketone - Carbonic acid derivative - Oxacycle - Organoheterocyclic compound - Acetal - Organic oxide - Organohalogen compound - Organofluoride - Alcohol - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Primary alcohol - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - 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