Compound Identification
SMILES
CCC(CO)NCCNC(CC)CO.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.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)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O)OC
InChIKey
InChIKey=MQRPLPOZIPQRQD-VGWHDUPRSA-N
Formula
C108H208N10O40
Mass
2286.882
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbohydrates and carbohydrate conjugates
-
Level 5
Aminosaccharides
-
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
Macrolides and analogues Gamma amino acids and derivatives O-glycosyl compounds Aminocyclitols and derivatives Cyclohexanols Cyclohexylamines Oxanes N-acyl amines Monosaccharides 1,3-aminoalcohols Tertiary alcohols Trialkylamines Carboxylic acid esters 1,2-aminoalcohols Secondary carboxylic acid amides Lactones Polyols Oxacyclic compounds Acetals Azacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Dialkylamines Primary alcohols Organopnictogen compounds Carbonyl compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
4,6-disubstituted 2-deoxystreptamine - Macrolide - Gamma amino acid or derivatives - Glycosyl compound - O-glycosyl compound - Aminocyclitol or derivatives - Cyclohexanol - Cyclohexylamine - Cyclitol or derivatives - Fatty acyl - Fatty amide - Oxane - Monosaccharide - N-acyl-amine - Cyclic alcohol - 1,3-aminoalcohol - Tertiary alcohol - 1,2-aminoalcohol - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Lactone - Secondary carboxylic acid amide - Secondary alcohol - Polyol - Secondary amine - Monocarboxylic acid or derivatives - Acetal - Carboxylic acid derivative - Oxacycle - Azacycle - Dialkyl ether - Secondary aliphatic amine - Ether - Organoheterocyclic compound - Organic oxide - Alcohol - Hydrocarbon derivative - Primary alcohol - Organonitrogen compound - Primary aliphatic amine - Organopnictogen compound - Carbonyl group - Primary amine - Amine - Organic nitrogen compound - Aliphatic heteromonocyclic 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