InChIKey | WZZFVRAJNWWNDL-AYORVWLJSA-N |
---|---|
Inchi | InChI=1S/C43H49NO15/c1-21-25(56-36(51)31(48)29(23-14-10-8-11-15-23)44-37(52)40(5,6)59-38(44)53)19-43(54)34(57-35(50)24-16-12-9-13-17-24)32-41(7,33(49)30(47)28(21)39(43,3)4)26(46)18-27-42(32,20-55-27)58-22(2)45/h8-17,25-27,29-32,34,46-48,54H,18-20H2,1-7H3/t25-,26-,27+,29-,30+,31+,32-,34-,41+,42-,43+/m0/s1 |
SMILES | CC(O[C@@]12CO[C@@H]1C[C@H](O)[C@]1(C([C@@H](C3=C(C)[C@@H](OC([C@@H]([C@@H](N4C(=O)OC(C)(C)C4=O)C4C=CC=CC=4)O)=O)C[C@]([C@@H](OC(C4C=CC=CC=4)=O)[C@H]21)(O)C3(C)C)O)=O)C)=O |
LogP | 2.43020 |
---|---|
PSA | 232.73000 |
熔点 | 160-162°C |
精确分子量 | 819.31000 |
---|
SMILES
CC(=O)O[C@]12[C@@H]3[C@]([C@@H](O)C[C@H]1OC2)(C)C(=O)[C@H](O)C4C(C)(C)[C@](C[C@H](OC(=O)[C@H](O)[C@H](C5=CC=CC=C5)N6C(=O)C(C)(C)OC6=O)C=4C)(O)[C@H]3OC(=O)C7=CC=CC=C7