2'''-HYDROXYCHLOROTHRICIN

111810-18-5

MFCD01939492

C50 H63 Cl O17

971.484

InChI=1S/C50H63ClO17/c1-23-22-50-28(20-30(23)44(56)57)13-10-8-7-9-12-27-16-17-29-31(49(27,5)48(60)67-42(43(50)55)46(59)68-50)14-11-15-33(29)65-47-40(54)39(53)41(26(4)63-47)66-36-21-35(38(52)25(3)62-36)64-45(58)37-24(2)32(51)18-19-34(37)61-6/h10,13,16-20,23,25-29,31,33,35-36,38-41,47,52-55H,7-9,11-12,14-15,21-22H2,1-6H3,(H,56,57)/b13-10+/t23-,25-,26-,27-,28-,29+,31-,33+,35-,36+,38-,39-,40-,41-,47+,49-,50+/m1/s1

InChIKey=BOAFKDAAUUBJJK-IEVVXYDWSA-N

Cc1c(ccc(c1C(=O)O[C@@H]2C[C@@H](O[C@@H]([C@H]2O)C)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O[C@H]4CCC[C@@H]5[C@@H]4C=C[C@@H]6[C@]5(C(=O)OC7=C([C@@]8(C[C@H](C(=C[C@H]8/C=C/CCCC6)C(=O)O)C)OC7=O)O)C)C)OC)Cl

H bond donor:5

H bond acceptor:17

XLogP3:3.0

Bulk/Fine:F