IC 831423

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 4
Total Number of Articles : 44
PubChem 163556
Molecular Formula

C30H51N3O49S8

SMILES

C([C@@H]1[C@H]([C@@H]([C@@H](O[C@H]1O[C@@H]([C@@H]([C@H](C=O)NS(=O)(=O)O)O)[C@H](O)OS(=O)(=O)O)C(=O)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COS(=O)(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COS(=O)(=O)O)O)O)NS(=O)(=O)O)O)O)OS(=O)(=O)O)NS(=O)(=O)O)O)OS(=O)(=O)O

InChI

InChI=1S/C30H51N3O49S8/c34-1-6(31-83(46,47)48)12(36)21(26(45)82-90(67,68)69)78-27-5(2-70-86(55,56)57)11(35)19(22(79-27)24(41)42)76-29-10(33-85(52,53)54)18(81-89(64,65)66)17(8(74-29)4-72-88(61,62)63)75-30-16(40)15(39)20(23(80-30)25(43)44)77-28-9(32-84(49,50)51)14(38)13(37)7(73-28)3-71-87(58,59)60/h1,5-23,26-33,35-40,45H,2-4H2,(H,41,42)(H,43,44)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)/t5-,6+,7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19+,20+,21+,22-,23+,26-,27-,28-,29-,30-/m1/s1

synonyms
  • 88096-19-9
  • IC 831423
  • IC-83.1423
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Properties
Property Value
MW 1494.3 g/mol
HBD 20
HBA 52
Rotatable Bond Count 33
Exact Mass 1492.9356844 g/mol
Monoisotopic Mass 1492.9356844 g/mol
Heavy Atom Count 90
Isotope Atom Count 0
Atom Stereo Count 24
Covalent Unit Count 1
Complexity 3410
xlogp -15.3
Topological Polar Surface Area 891