Structure Information
Structure

Compound Identification

SMILES

CNC1=NC2=C(S1)C(C)=C(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C(C)=C2CC1=CN=CC=C1

InChIKey

InChIKey=RJBKVKVYNJTHJS-DQSYDGHTSA-N

Formula

C22H25N3O7S

Mass

475.52

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Taxonomic Classification

Taxonomy Tree

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

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 - Benzenoid - 1,3-thiazol-2-amine - Azole - Thiazole - Heteroaromatic compound - Amino acid or derivatives - Secondary alcohol - Amino acid - Oxacycle - Secondary amine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Acetal - Monocarboxylic acid or derivatives - Polyol - Organonitrogen compound - Amine - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Alcohol - Hydrocarbon derivative - Carbonyl group - 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

CHEBI:4733 : glucosiduronic acid

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