Compound Identification
SMILES
OC(=O)C1=CN(C2CC2)C2=CC(N3CCNCC3)=C(F)C=C2C1=O.CC(C)N=C1C=C2N(C3=CC=C(Cl)C=C3)C3=CC=CC=C3N=C2C=C1NC1=CC=C(Cl)C=C1.NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O.CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O
InChIKey
InChIKey=PIJOWEGVBAJFIV-RYRIZBPRSA-N
Formula
C104H155Cl2FN14O28
Mass
2139.35
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbohydrates and carbohydrate conjugates
-
Level 5
Aminosaccharides
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Level 6
Aminoglycosides
- Level 7 Aminocyclitol glycosides
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Level 6
Aminoglycosides
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Level 5
Aminosaccharides
-
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
Aminosaccharides - Aminoglycosides - Aminocyclitol glycosides - 2-deoxystreptamine aminoglycosides
Direct Parent
4,6-disubstituted 2-deoxystreptamines
Alternative Parents
Phenazines and derivatives Macrolides and analogues Quinoline carboxylic acids Fluoroquinolones Gamma amino acids and derivatives N-arylpiperazines Haloquinolines Hydroquinolones Aminoquinolines and derivatives O-glycosyl compounds Hydroquinolines Pyridinecarboxylic acids Dialkylarylamines Aminocyclitols and derivatives Cyclohexanols Cyclohexylamines N-acyl amines Monosaccharides Benzenoids Oxanes Aryl fluorides Vinylogous amides Heteroaromatic compounds 1,3-aminoalcohols Tertiary alcohols Carboxylic acid esters Lactones Amino acids Secondary carboxylic acid amides Trialkylamines 1,2-aminoalcohols Polyols Acetals Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Dialkylamines Dialkyl ethers Organopnictogen compounds Carbonyl compounds Monoalkylamines Organofluorides Hydrocarbon derivatives Organic oxides Primary alcohols
Molecular Framework
Not available
Substituents
4,6-disubstituted 2-deoxystreptamine - Phenazine - Quinoline-3-carboxylic acid - Macrolide - N-arylpiperazine - Fluoroquinolone - Gamma amino acid or derivatives - Aminoquinoline - Haloquinoline - Glycosyl compound - O-glycosyl compound - Dihydroquinolone - Dihydroquinoline - Quinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Aminocyclitol or derivatives - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Cyclohexanol - Cyclohexylamine - Fatty acyl - N-acyl-amine - Monosaccharide - Oxane - Fatty amide - Cyclitol or derivatives - Aryl fluoride - Aryl halide - Pyridine - Benzenoid - 1,4-diazinane - Piperazine - 1,3-aminoalcohol - Cyclic alcohol - Vinylogous amide - Heteroaromatic compound - Tertiary alcohol - Secondary carboxylic acid amide - Amino acid or derivatives - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Carboxamide group - Carboxylic acid ester - 1,2-aminoalcohol - Amino acid - Lactone - Monocarboxylic acid or derivatives - Azacycle - Oxacycle - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Acetal - Dialkyl ether - Secondary aliphatic amine - Polyol - Ether - Organoheterocyclic compound - Primary aliphatic amine - Carbonyl group - Organofluoride - Organic nitrogen compound - Primary amine - Organohalogen compound - Primary alcohol - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Alcohol - Amine - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 4,6-disubstituted 2-deoxystreptamines. These are 2-deoxystreptamine aminoglycosides that a glycosidically linked to a pyranose of furanose unit at the C4- and C6-positions.
External Descriptors
Not available