1H-2-苯并吡喃-5,6-二醇,1-(氨基甲基)-3,4-二氢-3-(羟甲基)-,(1R,3S)-rel-

83753-75-7

MFCD01713226

C37 H45 N O14

727.755

InChI=1S/C37H45NO14/c1-15(39)13-37(47)14-24(51-25-11-21(38(4)5)35(17(3)50-25)52-26-12-23(41)31(42)16(2)49-26)28-19(30(37)36(46)48-6)10-20-29(34(28)45)33(44)27-18(32(20)43)8-7-9-22(27)40/h7-10,16-17,21,23-26,30-31,35,40-42,45,47H,11-14H2,1-6H3/t16-,17-,21-,23-,24-,25-,26-,30-,31+,35+,37+/m0/s1

InChIKey=PSUQQLCSYKMETC-JUMBGEQRSA-N

C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@@H](O[C@H](C[C@@H]2N(C)C)O[C@H]3C[C@@]([C@@H](c4c3c(c5c(c4)C(=O)c6cccc(c6C5=O)O)O)C(=O)OC)(CC(=O)C)O)C)O)O

pro_donors:5

pro_acceptors:15

XLogP3:1.0

Bulk/Fine:F