4-((4-Amino-2-((2-amino-1-hydroxypropylidene)amino)-2,4,6-trideoxyhexopyranosyl-(1->4)hexopyranosyl-(1->3)-6-deoxyhex-5-enopyranosyl-(1->3)pentofuranosyl)oxy)-N-(3-((4-((4-aminobutyl)amino)butyl)amino)propyl)benzamide
Basic information
- CAS
78213-56-6- Standard SMILES
C=C1OC(OC2C(CO)OC(Oc3ccc(C(=O)NCCCNCCCCNCCCCN)cc3)C2O)C(O)C(OC2OC(CO)C(OC3OC(C)C(N)C(O)C3NC(=O)C(C)N)C(O)C2O)C1O- InChIKey
POXHWKVMCKMHBX-TUWVLTMRSA-N- Molecular formula
- C44H75N7O18
- Average molar mass
- 990.1 g/mol
- Monoisotopic mass
- 989.51685857
Names & identifiers
- Preferred name
- 4-((4-Amino-2-((2-amino-1-hydroxypropylidene)amino)-2,4,6-trideoxyhexopyranosyl-(1->4)hexopyranosyl-(1->3)-6-deoxyhex-5-enopyranosyl-(1->3)pentofuranosyl)oxy)-N-(3-((4-((4-aminobutyl)amino)butyl)amino)propyl)benzamide
- IUPAC
- 4-[4-[4-[5-[5-amino-3-(2-aminopropanoylamino)-4-hydroxy-6-methyloxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-methylideneoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-N-[3-[4-(4-aminobutylamino)butylamino]propyl]benzamide
- English name
- glysperin A
- Molecular formula
- C44H75N7O18
- Molecular weight
- 990.107
Names & synonyms
DTXSID309994534-((4-Amino-2-((2-amino-1-hydroxypropylidene)amino)-2,4,6-trideoxyhexopyranosyl-(1->4)hexopyranosyl-(1->3)-6-deoxyhex-5-enopyranosyl-(1->3)pentofuranosyl)oxy)-N-(3-((4-((4-aminobutyl)amino)butyl)amino)propyl)benzamide4-({4-Amino-2-[(2-amino-1-hydroxypropylidene)amino]-2,4,6-trideoxyhexopyranosyl-(1->4)hexopyranosyl-(1->3)-6-deoxyhex-5-enopyranosyl-(1->3)pentofuranosyl}oxy)-N-[3-({4-[(4-aminobutyl)amino]butyl}amino)propyl]benzamideRefChem:1069652DTXCID6014264254-[4-[4-[5-[5-amino-3-(2-aminopropanoylamino)-4-hydroxy-6-methyloxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-methylideneoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-N-[3-[4-(4-aminobutylamino)butylamino]propyl]benzamideBU-2349 Aorb3024599SCHEMBL29886064TN10322Benzamide, 4-((O-4-amino-2-((2-amino-1-oxopropyl)amino)-2,4,6-trideoxy-alpha-D-galactopyranosyl-(1->4)-O-beta-D-galactopyranosyl-(1->3)-O-6-deoxy-alpha-D-xylo-hex-5-enopyranosyl-(1->3)-alpha-D-ribofuranosyl)oxy)-N-(3-((4-((4-aminobutyl)amino)butyl)amino)propyl )-, (S)-
Properties
Computed structural properties
- XLogP
- -5.9
- Topological polar surface area
- 396 Ų
- Hydrogen bond donors
- 15
- Hydrogen bond acceptors
- 23
- Rotatable bonds
- 26
- Heavy atoms
- 69
- Formal charge
- 0
- Complexity
- 1,560
Physicochemical properties
- Boiling point
- 1219.7 · 1219.7±65.0 °C(Predicted)
- Density
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- pka
- 12.61 · 12.61±0.70(Predicted)
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Applications
UsesGlysperin A has anti-Gram positive bacteria and negative bacteria (including aminoglycoside antibiotic resistant bacteria) activity[1].
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Compound notes
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