TMG-chitotriomycin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 40
Total Number of Articles : 41
PubChem 139584483
Molecular Formula

C33H59N4O20+

SMILES

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)NC(=O)C)O[C@@H]3[C@H](OC(C([C@H]3O)NC(=O)C)O)CO)CO)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)[N+](C)(C)C)O

InChI

InChI=1S/C33H58N4O20/c1-11(42)34-18-23(46)27(15(8-39)51-30(18)50)55-31-19(35-12(2)43)24(47)28(16(9-40)53-31)56-32-20(36-13(3)44)25(48)29(17(10-41)54-32)57-33-21(37(4,5)6)26(49)22(45)14(7-38)52-33/h14-33,38-41,45-50H,7-10H2,1-6H3,(H2-,34,35,36,42,43,44)/p+1/t14-,15-,16-,17-,18?,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30?,31+,32+,33-/m1/s1

synonyms
  • TMG-chitotriomycin
  • [(2R,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-trimethylazanium
  • ((2R,3R,4R,5S,6R)-2-((2R,3S,4R,5R,6S)-5-acetamido-6-((2R,3S,4R,5R,6S)-5-acetamido-6-((2R,3S,4R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl)oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl)oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl)oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)-trimethylazanium
Click to show/hide the synonyms
Properties
Property Value
MW 831.8 g/mol
HBD 13
HBA 20
Rotatable Bond Count 14
Exact Mass 831.37226528 g/mol
Monoisotopic Mass 831.37226528 g/mol
Heavy Atom Count 57
Isotope Atom Count 0
Atom Stereo Count 20
Covalent Unit Count 1
Complexity 1350
xlogp -8.3
Topological Polar Surface Area 354