CYTOVARICIN

79553-45-0

MFCD01745481

C47 H80 O16

901.133

InChI=1S/C47H80O16/c1-10-32(48)21-33-27(3)15-19-46(62-33)23-35-28(4)36(63-46)24-47(56)31(20-26(2)25-58-47)14-12-11-13-17-44(7,54)43(53)41(61-38-22-34(57-9)40(51)30(6)59-38)39(50)29(5)42(52)45(8,55)18-16-37(49)60-35/h12,14,16,18,26-36,38-43,48,50-56H,10-11,13,15,17,19-25H2,1-9H3/b14-12+,18-16+/t26-,27-,28-,29-,30+,31+,32+,33-,34-,35-,36-,38-,39+,40+,41-,42-,43+,44+,45+,46+,47-/m0/s1

InChIKey=NORZLTHXFWGSAT-TUHQYYMQSA-N

CC[C@H](C[C@H]1[C@H](CC[C@]2(O1)C[C@H]3[C@@H]([C@@H](O2)C[C@]4([C@@H](C[C@@H](CO4)C)/C=C/CCC[C@@]([C@@H]([C@H]([C@@H]([C@@H]([C@@H]([C@](/C=C/C(=O)O3)(C)O)O)C)O)O[C@H]5C[C@@H]([C@@H]([C@H](O5)C)O)OC)O)(C)O)O)C)C)O

pro_donors:8

pro_acceptors:16

XLogP3:1.0

Bulk/Fine:F