| 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 |
C1[C@@H]2[C@](CCC1(C)C)(CC[C@@]1(C2=CC[C@H]2[C@]1(CC[C@@H]1[C@@]2(C[C@@H]([C@@H]([C@]1(C(=O)O)C)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)O)C)C)CO)C(=O)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O)O)O)OC(=O)/C=C/c1cc(c(cc1)OC)OC)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Polygalaceae | Polygala glomerata  | Ref. |
|
|
zoom in
| Organism | Polygala glomerata |
|---|
| Reference | Zhang,Phytochem.,47,(1998),459 |
|---|
|
