SMILES和InChIs
SMILES:
[C@@H]1(/C=C(\[C@H](C/C=C/C=C(/C(=O)O[C@@H](C/C=C(\C=C(/[C@@H]1O[C@@H]1OC([C@H]([C@@H]([C@@H]1O)O)OC(=O)C(C)C)(C)C)\C)/C)[C@@H](C)O)\CO[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)C)OC(=O)c1c(c(c(c(c1O)Cl)O)Cl)CC)O)OC)O)/C)CC
Canonical SMILES:
CO[C@@H]1[C@H](OC/C/2=C\C=C\C[C@H](O)/C(=C\[C@H](CC)[C@H](/C(=C\C(=C/C[C@H](OC2=O)[C@H](O)C)\C)/C)O[C@@H]2OC(C)(C)[C@H]([C@@H]([C@@H]2O)O)OC(=O)C(C)C)/C)O[C@@H]([C@H]([C@@H]1O)OC(=O)c1c(O)c(Cl)c(c(c1CC)Cl)O)C
InChI:
InChI=1S/C52H74Cl2O18/c1-13-30-22-26(6)33(56)18-16-15-17-31(23-66-51-45(65-12)42(61)44(29(9)67-51)69-49(64)35-32(14-2)36(53)39(58)37(54)38(35)57)48(63)68-34(28(8)55)20-19-25(5)21-27(7)43(30)70-50-41(60)40(59)46(52(10,11)72-50)71-47(62)24(3)4/h15-17,19,21-22,24,28-30,33-34,40-46,50-51,55-61H,13-14,18,20,23H2,1-12H3/b16-15+,25-19-,26-22-,27-21-,31-17+/t28-,29-,30+,33+,34+,40-,41+,42+,43+,44-,45+,46+,50-,51-/m1/s1
InChIKey:
ZVGNESXIJDCBKN-QHKQINGTSA-N