| Name |
Polygalasaponin XLIII
(+)-Polygalasaponin XLIII |
| Formula |
C74H110O35 |
| Mw |
1558.68276529 |
| CAS RN |
202527-38-6 |
| C_ID |
C00049267
, 
|
| InChIKey |
LLQXLXVADTWEFW-VTUGWKCDNA-N |
| InChICode |
InChI=1S/C74H110O35/c1-30-56(105-62-52(89)47(84)40(28-98-62)103-64-53(90)48(85)45(82)38(25-75)101-64)50(87)55(92)63(99-30)107-59-58(106-61-51(88)44(81)37(79)27-97-61)57(104-43(80)16-11-32-9-12-33(96-8)13-10-32)31(2)100-66(59)109-68(95)73-20-19-69(3,4)23-35(73)34-14-15-41-70(5)24-36(78)60(108-65-54(91)49(86)46(83)39(26-76)102-65)72(7,67(93)94)42(70)17-18-71(41,6)74(34,29-77)22-21-73/h9-14,16,30-31,35-42,44-66,75-79,81-92H,15,17-29H2,1-8H3,(H,93,94)/b16-11+/t30-,31+,35+,36+,37+,38-,39+,40-,41-,42-,44+,45+,46-,47+,48+,49+,50-,51-,52-,53-,54-,55-,56+,57+,58-,59+,60+,61+,62+,63+,64+,65+,66+,70-,71-,72+,73+,74+/m1/s1 |
| SMILES |
COc1ccc(/C=C/C(=O)O[C@@H]2[C@H](O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O[C@@H]4OC[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@@H](O)[C@H]3O)[C@H](OC(=O)[C@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@@]6(C)C[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@](C)(C(=O)O)[C@@H]6CC[C@@]5(C)[C@]3(CO)CC4)O[C@@H]2C)cc1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Polygalaceae | Polygala glomerata  | Ref. |
|
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