COPIAMYCIN

11078-23-2

MFCD01939510

C54 H95 N3 O17

1058.35

InChI=1S/C54H95N3O17/c1-31(15-13-11-9-10-12-14-22-57-53(55)56-8)23-35(5)51-34(4)17-20-42(60)36(6)44(62)25-38(58)24-39(72-50(69)29-48(66)67)26-40-27-46(64)52(70)54(71,74-40)30-47(65)33(3)16-19-41(59)37(7)45(63)28-43(61)32(2)18-21-49(68)73-51/h9-10,17-18,20-21,31-47,51-52,58-65,70-71H,11-16,19,22-30H2,1-8H3,(H,66,67)(H3,55,56,57)/b10-9+,20-17+,21-18+

InChIKey=DTXXAWMAXGFPJR-ZHUNZMOSSA-N

CC1CCC(C(C(CC(C(/C=C/C(=O)OC(C(/C=C/C(C(C(CC(CC(CC2CC(C(C(O2)(CC1O)O)O)O)OC(=O)CC(=O)O)O)O)C)O)C)C(C)CC(C)CCC/C=C/CCCNC(=N)NC)C)O)O)C)O

pro_donors:14

pro_acceptors:20

XLogP3:-2.0

Bulk/Fine:F