AWAMYCIN

87913-35-7

MFCD01939902

C38 H49 N O12 S

743.866

InChI=1S/C38H49NO12S/c1-15-12-11-13-16(2)37(48)39-26-33(46)23-22(34(47)36(26)52-10)24(35(50-8)21(7)32(23)45)29(42)18(4)14-17(3)28(41)20(6)31(44)25(38(49)51-9)30(43)19(5)27(15)40/h11-15,17,19-20,25,27-28,30-31,40-41,43-45H,1-10H3,(H,39,48)/b12-11-,16-13+,18-14+/t15-,17+,19-,20-,25-,27-,28+,30-,31-/m1/s1

InChIKey=WZCNXFSCUFEMGW-DXCIXMSSSA-N

Cc1c(c2c3c(c1OC)C(=O)/C(=C/[C@@H]([C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@@H]([C@@H](/C=C\C=C(\C(=O)NC(=C(C3=O)SC)C2=O)/C)C)O)C)O)C(=O)OC)O)C)O)C)/C)O

H bond donor:6

H bond acceptor:13

XLogP3:4.0

Bulk/Fine:F