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)CCCCl)[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=WHMRORDJVHWEHI-RKXCMPMJSA-N
Formula
C51H82ClNO17
Mass
1016.66
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 Oligosaccharides Delta-5-steroids O-glycosyl compounds Ketals Oxanes N-acyl amines Tetrahydrofurans Secondary carboxylic acid amides Secondary alcohols Polyols Oxacyclic compounds Dialkyl ethers Organic oxides Organochlorides Organonitrogen compounds Hydrocarbon derivatives Organopnictogen compounds Primary alcohols Carbonyl compounds Alkyl chlorides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Steroidal saponin - Triterpenoid - Spirostane skeleton - Oligosaccharide - Delta-5-steroid - Glycosyl compound - O-glycosyl compound - Ketal - Fatty amide - N-acyl-amine - Fatty acyl - Oxane - Tetrahydrofuran - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Acetal - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Organoheterocyclic compound - Polyol - Alkyl halide - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Alkyl chloride - Organic oxygen compound - Alcohol - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Primary alcohol - Organic nitrogen compound - 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