4-DEMETHOXY-4'-O-METHYLDOXORUBICIN

87471-33-8

MFCD00869491

C27 H29 N O10

527.523

InChI=1S/C27H29NO10/c1-11-26(36-2)15(28)7-18(37-11)38-16-9-27(35,17(30)10-29)8-14-19(16)25(34)21-20(24(14)33)22(31)12-5-3-4-6-13(12)23(21)32/h3-6,11,15-16,18,26,29,33-35H,7-10,28H2,1-2H3/t11-,15-,16-,18-,26+,27-/m0/s1

InChIKey=CQXYIKPCIOTYHD-VIUTZOACSA-N

C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5ccccc5C4=O)O)(C(=O)CO)O)N)OC

pro_donors:5

pro_acceptors:11

XLogP3:2.0

Bulk/Fine:F