16-FORMYLDIGITALINUM VERUM

73987-01-6

MFCD03265564

C42 H64 O16

824.952

InChI=1S/C42H64O16/c1-19-37(49)27(44)13-34(53-19)57-39-21(3)55-35(15-29(39)46)58-38-20(2)54-33(14-28(38)45)56-24-8-9-40(4)23(11-24)6-7-25-26(40)12-31(47)41(5)36(22-10-32(48)51-17-22)30(52-18-43)16-42(25,41)50/h10,18-21,23-31,33-39,44-47,49-50H,6-9,11-17H2,1-5H3/t19-,20-,21-,23-,24+,25-,26+,27+,28+,29+,30+,31-,33+,34+,35+,36+,37-,38-,39-,40+,41-,42+/m1/s1

InChIKey=HFUPKDXFBOUHEI-UBWQCPOKSA-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]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5C[C@H]([C@]7([C@@]6(C[C@@H]([C@@H]7C8=CC(=O)OC8)OC=O)O)C)O)C)C)C)O)O

H bond donor:6

H bond acceptor:16

XLogP3:0.0

Bulk/Fine:F