basic_info |
|
| Product_Name: | 连翘酯苷B |
| CAS: | 81525-13-5 |
| 中文同义词: | 连翘酯苷B |
| EnglishSynonyms: | FORSYTHOSIDE B |
| pro_mdlNumber: | MFCD03424245 |
| pro_acceptors: | 19 |
| pro_donors: | 11 |
| pro_smile: | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)/C=C/c3ccc(c(c3)O)O)CO[C@H]4[C@@H]([C@](CO4)(CO)O)O)OCCc5ccc(c(c5)O)O)O)O)O)O |
| InChi: | InChI=1S/C34H44O19/c1-15-24(41)25(42)26(43)32(50-15)53-29-27(44)31(47-9-8-17-3-6-19(37)21(39)11-17)51-22(12-48-33-30(45)34(46,13-35)14-49-33)28(29)52-23(40)7-4-16-2-5-18(36)20(38)10-16/h2-7,10-11,15,22,24-33,35-39,41-46H,8-9,12-14H2,1H3/b7-4+/t15-,22+,24-,25+,26+,27+,28+,29+,30-,31+,32-,33+,34+/m0/s1 |
| InChiKey: | InChIKey=JMBINOWGIHWPJI-UNSOMVRXSA-N |
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