Compound Identification
SMILES
C[C@H]1[C@H]2C(C[C@H]3[C@@H]4CC=C5C[C@@H](O)C[C@@H](O[C@@H]6OC[C@@H]([C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)S(O)(=O)=O)[C@]5(C)[C@H]4CC[C@]23C)O[C@]11C[C@@H](O)C(=C)CO1
InChIKey
InChIKey=NLGPXDJGQWXIPU-IYNZEEMQSA-N
Formula
C38H58O15S
Mass
786.93
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 3-beta-hydroxy delta-5-steroids 3-beta-hydroxysteroids Delta-5-steroids O-glycosyl compounds Disaccharides Ketals Oxanes Tetrahydrofurans Sulfonyls Organosulfonic acids Alkanesulfonic acids Secondary alcohols Cyclic alcohols and derivatives Polyols Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Steroidal saponin - Triterpenoid - Spirostane skeleton - 24-hydroxysteroid - 3-hydroxy-delta-5-steroid - 3-hydroxysteroid - Hydroxysteroid - 3-beta-hydroxy-delta-5-steroid - 3-beta-hydroxysteroid - Delta-5-steroid - Disaccharide - Glycosyl compound - O-glycosyl compound - Ketal - Oxane - Tetrahydrofuran - Sulfonyl - Organosulfonic acid - Cyclic alcohol - Alkanesulfonic acid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Secondary alcohol - Acetal - Polyol - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Alcohol - Organosulfur 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