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)CCCCC2CCSS2)O[C@]11CC[C@@H](C)CO1
InChIKey
InChIKey=HCPJZDPBAYDCJR-IPMWFNJLSA-N
Formula
C47H75NO12S2
Mass
910.23
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 Acylaminosugars Delta-5-steroids N-acyl-alpha-hexosamines Lipoamides Disaccharides O-glycosyl compounds Ketals N-acyl amines Oxanes Tetrahydrofurans 1,2-dithiolanes Secondary carboxylic acid amides Secondary alcohols Organic disulfides Oxacyclic compounds Polyols Hydrocarbon derivatives Organic oxides Organonitrogen compounds Carbonyl compounds Organopnictogen compounds Primary alcohols
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Steroidal saponin - Triterpenoid - Spirostane skeleton - Acylaminosugar - Delta-5-steroid - N-acyl-alpha-hexosamine - Lipoamide - Disaccharide - Glycosyl compound - O-glycosyl compound - Ketal - Fatty amide - Fatty acyl - N-acyl-amine - Oxane - Dithiolane - 1,2-dithiolane - Tetrahydrofuran - Secondary carboxylic acid amide - Secondary alcohol - Organic disulfide - Carboxamide group - Polyol - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Acetal - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Alcohol - Carbonyl group - Organonitrogen compound - Primary 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