| Name |
Polygalasaponin XLIX
(-)-Polygalasaponin XLIX |
| Formula |
C64H102O34 |
| Mw |
1414.62525041 |
| CAS RN |
1033593-12-2 |
| C_ID |
C00034164
, 
|
| InChIKey |
WVDWPFUSVKNZMS-WLLOSLSLNA-N |
| InChICode |
InChI=1S/C64H102O34/c1-24-46(95-50-42(78)37(73)31(20-87-50)94-55-48(82)64(86,23-89-55)22-88-51-43(79)38(74)34(70)28(17-65)91-51)41(77)45(81)52(90-24)96-47-40(76)36(72)30(19-67)93-54(47)98-57(85)62-12-11-58(2,3)15-26(62)25-7-8-32-59(4)16-27(69)49(97-53-44(80)39(75)35(71)29(18-66)92-53)61(6,56(83)84)33(59)9-10-60(32,5)63(25,21-68)14-13-62/h7,24,26-55,65-82,86H,8-23H2,1-6H3,(H,83,84)/t24-,26-,27-,28+,29+,30+,31-,32+,33+,34-,35+,36+,37-,38-,39-,40-,41-,42+,43+,44+,45+,46-,47+,48-,49-,50-,51+,52-,53+,54-,55-,59+,60+,61-,62-,63-,64+/m0/s1 |
| SMILES |
C[C@@H]1O[C@@H](O[C@H]2[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](OC7O[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](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O[C@@H]1OCC(O[C@@H]2OC[C@](O)(CO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@H](O)[C@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Polygalaceae | Polygala japonica | Ref. |
|
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