EZOMYCIN D1

57973-15-6

MFCD09837986

C26 H39 N7 O17 S

753.692

InChI=1S/C26H39N7O17S/c27-7-3-10(20(39)31-9(22(42)43)1-2-51-5-8(28)21(40)41)48-24(13(7)35)50-16-11(32-25(29)46)14(36)17(49-18(16)23(44)45)15(37)12(34)6-4-30-26(47)33-19(6)38/h4,7-18,24,34-37H,1-3,5,27-28H2,(H,31,39)(H,40,41)(H,42,43)(H,44,45)(H3,29,32,46)(H2,30,33,38,47)/t7-,8-,9-,10-,11-,12?,13+,14+,15-,16+,17+,18-,24-/m0/s1

InChIKey=PECIUWARGDJEKV-YEEQYCHDSA-N

c1c(c(=O)[nH]c(=O)[nH]1)C([C@@H]([C@H]2[C@@H]([C@@H]([C@H]([C@H](O2)C(=O)O)O[C@H]3[C@@H]([C@H](C[C@H](O3)C(=O)N[C@@H](CCSC[C@@H](C(=O)O)N)C(=O)O)N)O)NC(=O)N)O)O)O

H bond donor:14

H bond acceptor:24

XLogP3:-8.0

Bulk/Fine:F