basic_info |
|
| Product_Name: | (-)-SYRINGARESNOL-4-O-BETA-D-APIOFURANOSYL-(1->2)-BETA-D-GLUCOPYRANOSIDE |
| CAS: | 136997-64-3 |
| EnglishSynonyms: | (-)-SYRINGARESNOL-4-O-BETA-D-APIOFURANOSYL-(1->2)-BETA-D-GLUCOPYRANOSIDE |
| pro_mdlNumber: | MFCD20526613 |
| pro_acceptors: | 17 |
| pro_donors: | 7 |
| pro_smile: | COc1cc(cc(c1O)OC)[C@H]2[C@@H]3CO[C@H]([C@@H]3CO2)c4cc(c(c(c4)OC)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@](CO6)(CO)O)O)O)OC |
| InChi: | InChI=1S/C33H44O17/c1-41-18-5-14(6-19(42-2)23(18)36)26-16-10-46-27(17(16)11-45-26)15-7-20(43-3)28(21(8-15)44-4)49-31-25(38)29(24(37)22(9-34)48-31)50-32-30(39)33(40,12-35)13-47-32/h5-8,16-17,22,24-27,29-32,34-40H,9-13H2,1-4H3/t16-,17-,22-,24-,25-,26+,27+,29+,30+,31+,32+,33-/m1/s1 |
| InChiKey: | InChIKey=RRKNBLZWFVIWPC-RKEBKKKYSA-N |
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