Compound Identification
SMILES
O[N+]([O-])=O.CN(C(=S)OC1=CC2=CC=CC=C2C=C1)C1=CC=CC(C)=C1.ClC1=CC(Cl)=C(COC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1.ClC1=CC=CC=C1C(N1C=CN=C1)(C1=CC=CC=C1)C1=CC=CC=C1.CC(=O)N1CCN(CC1)C1=CC=C(OC[C@H]2CO[C@@](CN3C=CN=C3)(O2)C2=C(Cl)C=C(Cl)C=C2)C=C1.C[C@H]1O[C@@H](OC2CC3O[C@@](O)(CC(O)C3C(O)=O)CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)O[C@@H](C)[C@H](C)[C@H](O)[C@@H](C)\C=C\C=C\CC\C=C\C=C\C=C\C=C\2)[C@@H](O)[C@@H](N)[C@@H]1O
InChIKey
InChIKey=CBNHGAOYNUYTED-UNSZXMAKSA-N
Formula
C132H152Cl7N11O26S
Mass
2588.93
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic oxygen compounds
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Class
Organooxygen compounds
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Subclass
Carbohydrates and carbohydrate conjugates
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Level 5
Aminosaccharides
- Level 6 Aminoglycosides
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Level 5
Aminosaccharides
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Subclass
Carbohydrates and carbohydrate conjugates
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Class
Organooxygen compounds
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Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbohydrates and carbohydrate conjugates
Intermediate Tree Nodes
Aminosaccharides
Direct Parent
Aminoglycosides
Alternative Parents
Triphenyl compounds Macrolides and analogues N-arylpiperazines Phenylpiperazines O-glycosyl compounds Naphthalenes Aminophenyl ethers Benzylethers Aniline and substituted anilines Phenoxy compounds Dialkylarylamines Dichlorobenzenes Ketals Toluenes Beta hydroxy acids and derivatives Alkyl aryl ethers Aryl chlorides Oxanes N-substituted imidazoles Monosaccharides Dicarboxylic acids and derivatives Heteroaromatic compounds Organic nitrates Thiocarbamic acid esters 1,3-dioxolanes Tertiary carboxylic acid amides Acetamides Secondary alcohols Carboxylic acid esters 1,2-aminoalcohols Amino acids Organic nitro compounds Lactones Organic nitric acids Hemiacetals Oxacyclic compounds Azacyclic compounds Carboxylic acids Dialkyl ethers Polyols Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organic salts Organic zwitterions Organochlorides Organopnictogen compounds
Molecular Framework
Not available
Substituents
Aminoglycoside core - Triphenyl compound - Macrolide - N-arylpiperazine - Phenylpiperazine - O-glycosyl compound - Glycosyl compound - Naphthalene - Aminophenyl ether - Benzylether - 1,3-dichlorobenzene - Aniline or substituted anilines - Dialkylarylamine - Phenol ether - Phenoxy compound - Tertiary aliphatic/aromatic amine - Beta-hydroxy acid - Chlorobenzene - Toluene - Halobenzene - Alkyl aryl ether - Ketal - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Dicarboxylic acid or derivatives - Hydroxy acid - Monosaccharide - N-substituted imidazole - Oxane - Piperazine - Benzenoid - Meta-dioxolane - Thiocarbamic acid ester - Tertiary carboxylic acid amide - Azole - Heteroaromatic compound - Imidazole - Acetamide - Organic nitrate - Organic nitric acid or derivatives - Organic nitric acid - 1,2-aminoalcohol - Thiocarbamic acid derivative - Amino acid - Carboxamide group - Carboxylic acid ester - Hemiacetal - Tertiary amine - Lactone - Organic nitro compound - Amino acid or derivatives - Secondary alcohol - Oxacycle - Ether - Acetal - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Dialkyl ether - Polyol - Carboxylic acid - Organic 1,3-dipolar compound - Carboxylic acid derivative - Azacycle - Organic zwitterion - Carbonyl group - Organonitrogen compound - Organic oxide - Organochloride - Organic salt - Amine - Primary amine - Hydrocarbon derivative - Primary aliphatic amine - Organosulfur compound - Organopnictogen compound - Alcohol - Organic nitrogen compound - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as aminoglycosides. These are molecules or a portion of a molecule composed of amino-modified sugars.
External Descriptors
Not available