CONCANAMYCIN B

81552-33-2

MFCD01731919

C45 H73 N O14

852.065

InChI=1S/C45H73NO14/c1-13-15-33-27(6)36(57-37-21-32(47)42(31(10)56-37)59-44(46)52)22-45(53,60-33)30(9)40(50)29(8)41-34(54-11)17-14-16-23(2)18-25(4)38(48)28(7)39(49)26(5)19-24(3)20-35(55-12)43(51)58-41/h13-17,19-20,25-34,36-42,47-50,53H,18,21-22H2,1-12H3,(H2,46,52)/b15-13+,17-14+,23-16+,24-19+,35-20-/t25?,26?,27-,28?,29?,30?,31-,32-,33-,34?,36-,37+,38?,39?,40?,41?,42-,45-/m1/s1

InChIKey=AQXXGIBOZQZSAT-BMJLWMOJSA-N

C/C=C/[C@@H]1[C@H]([C@@H](C[C@@](O1)(C(C)C(C(C)C2C(/C=C/C=C(/CC(C(C(C(C(/C=C(/C=C(/C(=O)O2)\OC)\C)C)O)C)O)C)\C)OC)O)O)O[C@H]3C[C@H]([C@@H]([C@H](O3)C)OC(=O)N)O)C

pro_donors:6

pro_acceptors:15

XLogP3:2.0

Bulk/Fine:F