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](CO)[C@@H](O[C@H]3O[C@H](C)[C@@H](OCCNC(=O)C(F)(F)F)[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=WHDCBUASXMJEBH-MEMGHCCOSA-N
Formula
C49H76F3NO17
Mass
1008.132
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
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 Oligosaccharides Delta-5-steroids O-glycosyl compounds Ketals Oxanes Tetrahydrofurans Secondary carboxylic acid amides Secondary alcohols Polyols Oxacyclic compounds Dialkyl ethers Organic oxides Organofluorides Organonitrogen compounds Hydrocarbon derivatives Organopnictogen compounds Primary alcohols Carbonyl compounds Alkyl fluorides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Steroidal saponin - Triterpenoid - Spirostane skeleton - Oligosaccharide - Delta-5-steroid - Glycosyl compound - O-glycosyl compound - Ketal - Oxane - Tetrahydrofuran - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Organoheterocyclic compound - Oxacycle - Acetal - Polyol - Carboxylic acid derivative - Dialkyl ether - Ether - Primary alcohol - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organofluoride - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Alkyl halide - Alkyl fluoride - Alcohol - Aliphatic 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