| Name |
Polygalasaponin XLII
(-)-Polygalasaponin XLII |
| Formula |
C64H94O27 |
| Mw |
1294.5982478 |
| CAS RN |
202527-34-2 |
| C_ID |
C00049266
, 
|
| InChIKey |
BFZSPLROFPCIFL-OFTWWXDDNA-N |
| InChICode |
InChI=1S/C64H94O27/c1-28-49(88-53-45(74)41(70)34(68)26-83-53)44(73)47(76)54(84-28)89-51-48(77)50(87-40(69)15-11-30-10-13-35(81-8)36(22-30)82-9)29(2)85-56(51)91-58(80)63-19-18-59(3,4)23-32(63)31-12-14-38-60(5)24-33(67)52(90-55-46(75)43(72)42(71)37(25-65)86-55)62(7,57(78)79)39(60)16-17-61(38,6)64(31,27-66)21-20-63/h10-13,15,22,28-29,32-34,37-39,41-56,65-68,70-77H,14,16-21,23-27H2,1-9H3,(H,78,79)/b15-11+/t28-,29+,32-,33-,34+,37+,38+,39+,41-,42-,43-,44-,45+,46+,47+,48-,49-,50-,51+,52-,53-,54-,55-,56-,60+,61+,62-,63-,64-/m0/s1 |
| SMILES |
COc1ccc(/C=C/C(=O)O[C@@H]2[C@H](O)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O[C@@H]4OC[C@@H](O)[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)cc1OC |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Polygalaceae | Polygala glomerata  | Ref. |
|
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