JOSAMYCIN HYDROCHLORIDE

11033-19-5

MFCD01716294

C42 H69 N O15 . Cl H

864.46

InChI=1S/C42H69NO15.ClH/c1-23(2)19-32(47)56-40-27(6)53-34(22-42(40,8)50)57-37-26(5)54-41(36(49)35(37)43(9)10)58-38-29(17-18-44)20-24(3)30(46)16-14-12-13-15-25(4)52-33(48)21-31(39(38)51-11)55-28(7)45;/h12-14,16,18,23-27,29-31,34-41,46,49-50H,15,17,19-22H2,1-11H3;1H/b13-12+,16-14+;/t24-,25-,26-,27+,29+,30+,31-,34+,35-,36-,37-,38+,39+,40+,41+,42-;/m1./s1

InChIKey=TYHGHVDZSRXAKD-XLSWTIJLSA-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)CC(C)C)(C)O)N(C)C)O)CC=O)C)O.Cl

H bond donor:3

H bond acceptor:16

XLogP3:3.0

Bulk/Fine:F