BERNINAMYCIN A

58798-97-3

MFCD14635430

C51 H51 N15 O15 S

1146.12

InChI=1S/C51H51N15O15S/c1-13-28-49-65-34(26(10)81-49)45(76)56-21(5)40(71)66-36(51(11,12)78)46(77)58-23(7)48-64-33(25(9)80-48)44(75)55-20(4)39(70)57-22(6)47-61-30(16-79-47)35-27(50-62-31(17-82-50)42(73)63-32(24(8)67)43(74)60-28)14-15-29(59-35)41(72)54-19(3)38(69)53-18(2)37(52)68/h13-17,24,32,36,67,78H,2-7H2,1,8-12H3,(H2,52,68)(H,53,69)(H,54,72)(H,55,75)(H,56,76)(H,57,70)(H,58,77)(H,60,74)(H,63,73)(H,66,71)/b28-13-

InChIKey=CAFFHXXVDGAVPH-QDTIIGTASA-N

C/C=C\1/c2nc(c(o2)C)C(=O)NC(=C)C(=O)NC(C(=O)NC(=C)c3nc(c(o3)C)C(=O)NC(=C)C(=O)NC(=C)c4nc(co4)-c5c(ccc(n5)C(=O)NC(=C)C(=O)NC(=C)C(=O)N)-c6nc(cs6)C(=O)NC(C(=O)N1)C(C)O)C(C)(C)O

pro_donors:12

pro_acceptors:30

XLogP3:0.0

Bulk/Fine:F