| Name |
Polygalasaponin J
(+)-Polygalasaponin J |
| Formula |
C59H96O28 |
| Mw |
1252.60881249 |
| CAS RN |
882664-80-4 |
| C_ID |
C00041780
, 
|
| InChIKey |
LZGILLQEOKZUOZ-VRCXUQBQNA-N |
| InChICode |
InChI=1S/C59H96O28/c1-23-45(84-48-41(73)36(68)30(21-78-48)83-50-42(74)37(69)33(65)27(18-60)80-50)40(72)44(76)49(79-23)85-46-39(71)35(67)29(20-62)82-52(46)87-53(77)59-14-12-54(2,3)16-25(59)24-8-9-32-55(4)17-26(64)47(86-51-43(75)38(70)34(66)28(19-61)81-51)56(5,22-63)31(55)10-11-58(32,7)57(24,6)13-15-59/h8,23,25-52,60-76H,9-22H2,1-7H3/t23-,25-,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-,55-,56-,57+,58+,59-/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](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@](C)(CO)[C@@H]6CC[C@@]5(C)[C@]3(C)CC4)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[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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