3'',4''-DIACETYLSPIRAMYCIN II

110101-92-3

MFCD01716245

C49 H80 N2 O17

969.168

InChI=1S/C49H80N2O17/c1-27-24-35(22-23-52)45(67-48-43(57)42(51(12)13)44(30(4)62-48)66-41-26-49(9,68-34(8)55)47(31(5)61-41)64-33(7)54)46(58-14)38(63-32(6)53)25-39(56)59-28(2)18-16-15-17-19-37(27)65-40-21-20-36(50(10)11)29(3)60-40/h15-17,19,23,27-31,35-38,40-48,57H,18,20-22,24-26H2,1-14H3/b16-15+,19-17+/t27-,28-,29-,30-,31+,35+,36+,37+,38-,40+,41+,42-,43-,44-,45+,46+,47+,48+,49-/m1/s1

InChIKey=CXLSZSGBVZGNKM-SXLMNFHESA-N

C[C@@H]1C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)OC(=O)C)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OC(=O)C)(C)OC(=O)C)N(C)C)O)CC=O)C)O[C@H]4CC[C@@H]([C@H](O4)C)N(C)C

pro_donors:1

pro_acceptors:19

XLogP3:3.0

Bulk/Fine:F