Compound Identification
SMILES
C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@H](C[C@@H](O[C@@H]6O[C@H](C)[C@H](OS(O)(=O)=O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@]5(C)[C@H]4CC[C@]23C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@]11CCC(=C)CO1
InChIKey
InChIKey=XEQIXALDVKFSET-DTWYBRKASA-N
Formula
C45H70O20S
Mass
963.1
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 Delta-5-steroids Disaccharide sulfates O-glycosyl compounds Ketals Oxanes Alkyl sulfates Sulfuric acid monoesters Tetrahydrofurans Secondary alcohols Polyols Oxacyclic compounds Organic oxides Hydrocarbon derivatives Primary alcohols
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Steroidal saponin - Triterpenoid - Spirostane skeleton - Delta-5-steroid - Disaccharide sulfate - Disaccharide - Glycosyl compound - O-glycosyl compound - Ketal - Oxane - Sulfuric acid ester - Sulfuric acid monoester - Sulfate-ester - Alkyl sulfate - Organic sulfuric acid or derivatives - Tetrahydrofuran - Secondary alcohol - Organoheterocyclic compound - Polyol - Acetal - Oxacycle - Primary alcohol - Organooxygen compound - Hydrocarbon derivative - Alcohol - Organic oxygen compound - Organic oxide - 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