PALDIMYCIN A

101411-70-5

MFCD01939554

C44 H64 N4 O23 S3

1113.19

InChI=1S/C44H64N4O23S3/c1-10-16(2)40(62)68-19(5)44(71-41(63)24(47-21(7)50)15-74-42(72)48-31(39(60)61)17(3)73-14-23(37(56)57)46-20(6)49)18(4)67-28(11-27(44)65-9)70-34-32(53)26(13-66-22(8)51)69-36(33(34)54)43(64)12-25(52)30(45)29(35(43)55)38(58)59/h16-19,23-24,26-28,31-34,36,53-54,64H,10-15,45H2,1-9H3,(H,46,49)(H,47,50)(H,48,72)(H,56,57)(H,58,59)(H,60,61)/t16?,17?,18-,19?,23?,24-,26+,27+,28+,31?,32+,33-,34+,36+,43?,44-/m0/s1

InChIKey=QBDFZLWGUNQTIM-UYRSIRQISA-N

CCC(C)C(=O)OC(C)[C@]1([C@@H](O[C@@H](C[C@H]1OC)O[C@@H]2[C@@H]([C@H](O[C@H]([C@H]2O)C3(CC(=O)C(=C(C3=O)C(=O)O)N)O)COC(=O)C)O)C)OC(=O)[C@H](CSC(=S)NC(C(C)SCC(C(=O)O)NC(=O)C)C(=O)O)NC(=O)C

pro_donors:10

pro_acceptors:27

XLogP3:-1.0

Bulk/Fine:F