MARIDOMYCIN VII

56078-81-0

MFCD01939690

C42 H69 N O16

843.998

InChI=1S/C42H69NO16/c1-11-13-32(47)57-40-25(6)53-34(21-42(40,7)50)58-37-24(5)54-41(36(49)35(37)43(8)9)59-38-26(16-17-44)18-22(3)27(45)14-15-28-29(55-28)19-23(4)52-33(48)20-30(39(38)51-10)56-31(46)12-2/h14-15,17,22-30,34-41,45,49-50H,11-13,16,18-21H2,1-10H3/b15-14+/t22-,23-,24-,25+,26+,27+,28+,29+,30-,34+,35-,36-,37-,38+,39+,40+,41+,42-/m1/s1

InChIKey=OZGQRNGTTNYEIQ-DSGJEODLSA-N

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

H bond donor:3

H bond acceptor:17

XLogP3:2.0

Bulk/Fine:F