Compound Identification
SMILES
C[C@H]1[C@H]2C(C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)C[C@@H](O[C@H]6O[C@@H](C)[C@@H](OS(O)(=O)=O)[C@@H](O)[C@@H]6O)[C@]5(C)[C@H]4CC[C@]23C)OC11CC[C@H](C)CO1
InChIKey
InChIKey=VEBWDEUHONOFKN-BEPJGEAPSA-N
Formula
C33H54O11S
Mass
658.84
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 3-beta-hydroxysteroids O-glycosyl compounds Monosaccharide sulfates Ketals Sulfuric acid monoesters Oxanes Alkyl sulfates Tetrahydrofurans Secondary alcohols Cyclic alcohols and derivatives Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Steroidal saponin - Triterpenoid - Spirostane skeleton - 3-beta-hydroxysteroid - Hydroxysteroid - 3-hydroxysteroid - O-glycosyl compound - Glycosyl compound - Monosaccharide sulfate - Ketal - Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Oxane - Monosaccharide - Tetrahydrofuran - Organic sulfuric acid or derivatives - Cyclic alcohol - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - 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