SIGMAMYCIN

8060-63-7

MFCD02661513

C35 H61 N O12 . C22 H24 N2 O8

1132.3

InChI=1S/C35H61NO12.C22H24N2O8/c1-16-14-35(15-43-35)32(40)19(4)27(37)18(3)22(7)46-33(41)21(6)31(47-26-13-25(42-11)28(38)23(8)45-26)20(5)30(16)48-34-29(39)24(36(9)10)12-17(2)44-34;1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h16-31,34,37-39H,12-15H2,1-11H3;4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30)/t16-,17+,18-,19+,20+,21+,22+,23-,24-,25-,26-,27-,28-,29+,30-,31-,34-,35+;9-,10-,15-,21+,22-/m00/s1

InChIKey=XHAOKTMBAZMINU-LSTWXXSASA-N

C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](C[C@@]3(CO3)C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]2C)O[C@H]4C[C@@H]([C@H]([C@@H](O4)C)O)OC)C)C)C)O)C)C)O)N(C)C.C[C@]1(c2cccc(c2C(=O)C3=C([C@]4([C@@H](C[C@@H]31)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O)O

pro_donors:3

pro_acceptors:13

XLogP3:1.0

Bulk/Fine:F