Structure Information
Structure

Compound Identification

SMILES

NC[C@@H]1O[C@H](O[C@@H]2[C@@H](COCC3=CN(CCN4CCN(CC4)C4=C(F)C=C5C(=O)C(=CN(C6CC6)C5=C4)C(O)=O)N=N3)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O

InChIKey

InChIKey=XECMDKMDAJGDJW-CTSKMVFLSA-N

Formula

C45H69FN12O16

Mass

1053.113

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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

Aminosaccharides - Aminoglycosides - Aminocyclitol glycosides - 2-deoxystreptamine aminoglycosides

Direct Parent

4,5-disubstituted 2-deoxystreptamines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

4,5-disubstituted 2-deoxystreptamine - Quinoline-3-carboxylic acid - N-arylpiperazine - Fluoroquinolone - Glycosyl compound - Dihydroquinolone - O-glycosyl compound - Aminoquinoline - Disaccharide - Haloquinoline - Quinoline - Dihydroquinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Dialkylarylamine - Aminocyclitol or derivatives - Tertiary aliphatic/aromatic amine - Cyclohexanol - Cyclohexylamine - N-alkylpiperazine - 1,4-diazinane - Aryl halide - Aryl fluoride - Cyclitol or derivatives - Oxane - Piperazine - Pyridine - Benzenoid - Azole - Cyclic alcohol - Tetrahydrofuran - Vinylogous amide - Heteroaromatic compound - 1,2,3-triazole - Amino acid or derivatives - 1,2-aminoalcohol - Tertiary amine - Amino acid - Tertiary aliphatic amine - Secondary alcohol - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Acetal - Dialkyl ether - Ether - Primary amine - Alcohol - Organohalogen compound - Amine - Organonitrogen compound - Primary aliphatic amine - Organic nitrogen compound - Organofluoride - Organopnictogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 4,5-disubstituted 2-deoxystreptamines. These are 2-deoxystreptamine aminoglycosides that a glycosidically linked to a pyranose of furanose unit at the C4- and C5-positions.

External Descriptors

Not available

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