10-DEACETYL-7-XYLOSYLPACLITAXEL

90332-65-3

MFCD10566700

C50 H57 N O17

943.99

InChI=1S/C50H57NO17/c1-25-30(64-45(61)38(56)35(27-15-9-6-10-16-27)51-43(59)28-17-11-7-12-18-28)22-50(62)42(67-44(60)29-19-13-8-14-20-29)40-48(5,41(58)37(55)34(25)47(50,3)4)32(21-33-49(40,24-63-33)68-26(2)53)66-46-39(57)36(54)31(23-52)65-46/h6-20,30-33,35-40,42,46,52,54-57,62H,21-24H2,1-5H3,(H,51,59)/t30-,31+,32-,33+,35-,36-,37+,38+,39+,40-,42-,46?,48+,49-,50+/m0/s1

InChIKey=AGABNGYOEYYERM-LESVMAHPSA-N

CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)c6ccccc6)O)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)OC8[C@@H]([C@H]([C@H](O8)CO)O)O)C)O

H bond donor:7

H bond acceptor:18

XLogP3:0.0

Bulk/Fine:F