DUTOMYCIN

146663-67-4

MFCD00915358

C44 H54 O17

854.894

InChI=1S/C44H54O17/c1-10-11-18(2)14-19(3)41(52)61-39-23(7)58-29(17-42(39,8)53)59-26-12-13-28(57-22(26)6)60-40-36(49)31(21(5)45)37(50)44(55)38(51)32-24(16-43(40,44)54)20(4)30-33(35(32)48)25(46)15-27(56-9)34(30)47/h14-15,18,22-23,26,28-29,39-40,48-49,53-55H,10-13,16-17H2,1-9H3/b19-14-/t18-,22-,23+,26+,28+,29+,39-,40-,42-,43-,44-/m1/s1

InChIKey=XLXKPBAXLAAHEN-WNMWLNICSA-N

CCC[C@@H](C)/C=C(/C)\C(=O)O[C@@H]1[C@@H](O[C@H](C[C@@]1(C)O)O[C@H]2CC[C@@H](O[C@@H]2C)O[C@@H]3C(=C(C(=O)[C@@]4([C@]3(Cc5c(c6c(c(c5C4=O)O)C(=O)C=C(C6=O)OC)C)O)O)C(=O)C)O)C

H bond donor:5

H bond acceptor:17

XLogP3:3.0

Bulk/Fine:F