CYTORHODIN X

133914-58-6

MFCD01939559

C48 H68 N2 O15

913.064

InChI=1S/C48H68N2O15/c1-10-48(65-36-20-28(49(6)7)41(53)24(4)60-36)19-18-27-38(45(57)40-39(43(27)55)44(56)37-26(42(40)54)12-11-13-31(37)52)47(48)64-35-21-29(50(8)9)46(25(5)61-35)63-34-17-15-32(23(3)59-34)62-33-16-14-30(51)22(2)58-33/h11-13,22-25,28-30,32-36,41,46-47,51-53,55,57H,10,14-21H2,1-9H3/t22-,23-,24+,25-,28-,29-,30-,32-,33-,34-,35-,36-,41-,46+,47+,48+/m0/s1

InChIKey=KHLMWLKHVMVXMW-FLFUJMJGSA-N

CC[C@]1(CCc2c(c(c3c(c2O)C(=O)c4c(cccc4O)C3=O)O)[C@H]1O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O[C@H]6CC[C@@H]([C@@H](O6)C)O[C@H]7CC[C@@H]([C@@H](O7)C)O)N(C)C)O[C@H]8C[C@@H]([C@H]([C@H](O8)C)O)N(C)C

pro_donors:5

pro_acceptors:17

XLogP3:6.0

Bulk/Fine:F