CHLOROPOLYSPORIN C

105650-12-2

MFCD01664823

C77 H79 Cl3 N8 O30

1702.86

InChI=1S/C77H79Cl3N8O30/c1-26-59(96)40(81)23-50(111-26)116-66-30-7-13-44(38(79)17-30)112-46-19-32-20-47(68(46)118-77-65(102)63(100)61(98)49(25-90)115-77)113-45-14-8-31(18-39(45)80)67(117-76-64(101)62(99)60(97)48(24-89)114-76)58(87-69(103)52(82-2)27-3-9-33(91)10-4-27)73(107)84-54(29-6-12-42(94)37(78)16-29)70(104)85-55(32)72(106)83-53-28-5-11-41(93)35(15-28)51-36(21-34(92)22-43(51)95)56(75(109)110)86-74(108)57(66)88-71(53)105/h3-22,26,40,48-50,52-67,76-77,82,89-102H,23-25,81H2,1-2H3,(H,83,106)(H,84,107)(H,85,104)(H,86,108)(H,87,103)(H,88,105)(H,109,110)/t26-,40+,48+,49+,50-,52+,53+,54-,55+,56-,57-,58+,59-,60+,61+,62-,63-,64-,65+,66+,67+,76+,77-/m0/s1

InChIKey=ZRPIIHCQSYHVEJ-RSTFWGASSA-N

C[C@H]1[C@@H]([C@@H](C[C@@H](O1)O[C@@H]2c3ccc(c(c3)Cl)Oc4cc5cc(c4O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)Oc7ccc(cc7Cl)[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H]5C(=O)N[C@@H]8c9ccc(c(c9)-c1c(cc(cc1O)O)[C@H](NC(=O)[C@H]2NC8=O)C(=O)O)O)c1ccc(c(c1)Cl)O)NC(=O)[C@@H](c1ccc(cc1)O)NC)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)N)O

H bond donor:23

H bond acceptor:38

XLogP3:-1.0

Bulk/Fine:F