SELDOMYCIN 5

56276-26-7

MFCD01939992

C18 H38 N6 O7 . 3 H2 O4 S

744.767

InChI=1S/C18H38N6O7.3H2O4S/c1-27-10-5-28-17(13(24)12(10)23)30-15-7(20)3-8(21)16(14(15)26)31-18-11(22)9(25)2-6(4-19)29-18;3*1-5(2,3)4/h6-18,25-26H,2-5,19-24H2,1H3;3*(H2,1,2,3,4)/t6-,7+,8-,9-,10+,11+,12-,13+,14+,15-,16+,17+,18+;;;/m0.../s1

InChIKey=KOUNBTDEPQUXJW-HNHSFOSZSA-N

CO[C@@H]1CO[C@@H]([C@@H]([C@H]1N)N)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H]([C@H](C[C@H](O3)CN)O)N)N)N.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O

H bond donor:8

H bond acceptor:13

XLogP3:-6.0

Bulk/Fine:F