Compound Identification
SMILES
COC1=NC(C)=NC(NC(=O)NS(=O)(=O)C2=C(Cl)C=CC(=C2)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=N1
InChIKey
InChIKey=KKQCYYLBBYSEBE-LFHLZQBKSA-N
Formula
C18H22ClN5O9S
Mass
519.91
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbohydrates and carbohydrate conjugates
-
Level 5
Glycosyl compounds
- Level 6 Phenolic glycosides
-
Level 5
Glycosyl compounds
-
Subclass
Carbohydrates and carbohydrate conjugates
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbohydrates and carbohydrate conjugates
Intermediate Tree Nodes
Glycosyl compounds
Direct Parent
Phenolic glycosides
Alternative Parents
S-triazinyl-2-sulfonylureas Hexoses C-glycosyl compounds Benzenesulfonamides Benzenesulfonyl compounds 2-methoxy-1,3,5-triazines Alkyl aryl ethers Aminotriazines Chlorobenzenes Oxanes Aryl chlorides Organosulfonic acids and derivatives Aminosulfonyl compounds Heteroaromatic compounds Secondary alcohols 1,2-diols Oxacyclic compounds Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives Organic oxides Primary alcohols Organochlorides Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenolic glycoside - S-triazinyl-2-sulfonylurea - Hexose monosaccharide - C-glycosyl compound - Benzenesulfonamide - Benzenesulfonyl group - 2-methoxy-1,3,5-triazine - Alkoxy-s-triazine - Alkyl aryl ether - Amino-1,3,5-triazine - Chlorobenzene - Halobenzene - Sulfonylurea - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 1,3,5-triazine - Monosaccharide - Oxane - Triazine - Benzenoid - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - 1,2-diol - Secondary alcohol - Organoheterocyclic compound - Polyol - Oxacycle - Dialkyl ether - Ether - Azacycle - Carbonyl group - Organohalogen compound - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Alcohol - Organic nitrogen compound - Primary alcohol - Organosulfur compound - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose.
External Descriptors
Not available