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]6OC[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)OS(O)(=O)=O)O[C@@]1(O)CCC(=C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIKey
InChIKey=QFODQGZXIFLTSP-DZOIOXCZSA-N
Formula
C44H70O24S2
Mass
1047.14
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
-
Subclass
Steroidal glycosides
- Level 5 Steroidal saponins
-
Subclass
Steroidal glycosides
-
Class
Steroids and steroid derivatives
-
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
Furostanes and derivatives Hydroxysteroids Delta-5-steroids Sulfated steroids Fatty acyl glycosides of mono- and disaccharides Alkyl glycosides O-glycosyl compounds Disaccharides Sulfuric acid monoesters Oxanes Alkyl sulfates Tetrahydrofurans Secondary alcohols Hemiacetals Polyols Oxacyclic compounds Acetals Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Steroidal saponin - Furostane-skeleton - 22-hydroxysteroid - Sulfated steroid skeleton - Hydroxysteroid - Delta-5-steroid - Fatty acyl glycoside of mono- or disaccharide - Fatty acyl glycoside - Alkyl glycoside - O-glycosyl compound - Glycosyl compound - Disaccharide - Fatty acyl - Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Oxane - Tetrahydrofuran - Organic sulfuric acid or derivatives - Secondary alcohol - Hemiacetal - Oxacycle - Organoheterocyclic compound - Polyol - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - 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