Compound Identification
SMILES
CNC1=NC2=C(S1)C(C)=C(OC1OC(C(O)C(O)C1O)C(O)=O)C(C)=C2CC1=CN=CC=C1
InChIKey
InChIKey=RJBKVKVYNJTHJS-UHFFFAOYSA-N
Formula
C22H25N3O7S
Mass
475.52
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbohydrates and carbohydrate conjugates
-
Level 5
Glycosyl compounds
- Level 6 Phenolic glycosides
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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
O-glucuronides Hexoses O-glycosyl compounds Benzothiazoles Secondary alkylarylamines Beta hydroxy acids and derivatives Pyridines and derivatives Pyrans 2-amino-1,3-thiazoles Oxanes Benzenoids Heteroaromatic compounds Secondary alcohols Polyols Acetals Azacyclic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenolic glycoside - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Hexose monosaccharide - O-glycosyl compound - 1,3-benzothiazole - Beta-hydroxy acid - Secondary aliphatic/aromatic amine - Hydroxy acid - Monosaccharide - Oxane - Pyran - Pyridine - 1,3-thiazol-2-amine - Benzenoid - Thiazole - Heteroaromatic compound - Azole - Secondary alcohol - Polyol - Organoheterocyclic compound - Azacycle - Oxacycle - Monocarboxylic acid or derivatives - Acetal - Carboxylic acid derivative - Carboxylic acid - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Alcohol - Organopnictogen compound - Organonitrogen compound - Aromatic heteropolycyclic 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