PULVOMYCIN

11006-66-9

MFCD01939824

C47 H66 O13

839.025

InChI=1S/C47H66O13/c1-29-20-19-21-31(3)42(53)38(50)24-17-11-10-12-18-25-40(60-41(52)27-26-30(2)39(51)28-29)33(5)43(54)32(4)36(48)22-15-13-14-16-23-37(49)34(6)58-47-46(57-9)44(55)45(56-8)35(7)59-47/h10-24,26,28,32-35,37-40,43-47,49-51,54-55H,25,27H2,1-9H3/b11-10+,14-13+,18-12+,20-19+,22-15+,23-16+,24-17+,29-28+,30-26+,31-21+/t32?,33?,34?,35-,37?,38?,39?,40?,43?,44+,45+,46-,47-/m1/s1

InChIKey=FXSFWUNCIOIMAC-YEJKFBMPSA-N

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

pro_donors:5

pro_acceptors:13

XLogP3:5.0

Bulk/Fine:F