Inchi | InChI=1S/C43H70O15/c1-20(45)54-23-16-40(7)25-15-22(55-36-32(51)30(49)29(48)24(17-44)56-36)33-37(2,3)26(57-35-31(50)28(47)21(46)18-53-35)10-12-43(33)19-42(25,43)14-13-39(40,6)34(23)41(8)11-9-27(58-41)38(4,5)52/h21-36,44,46-52H,9-19H2,1-8H3/t21-,22+,23+,24-,25+,26+,27+,28+,29-,30+,31-,32-,33+,34+,35+,36-,39-,40+,41-,42+,43-/m1/s1 |
InChIKey | LRXKZZFZGZAUSP-XJEYLLQNSA-N |
SMILES | OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O[C@@H]2[C@H]3C([C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)CO4)CC[C@]43C[C@@]34CC[C@]4(C)[C@@H]([C@@]5(O[C@H](C(C)(C)O)CC5)C)[C@@H](OC(C)=O)C[C@@]4(C)[C@@H]3C2)(C)C)O1 |
精确分子量 | 826.47100 |
PSA | 234.29000 |
LogP | 1.29490 |