| 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@H]1([C@@H]([C@@]([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)(CCC(C1)(C)C)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[C@@H]1OC[C@@]([C@H]1O)(CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)O)O)O)O)CO)CO)C)C)(C)C(=O)O)O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Polygalaceae | Polygala japonica | Ref. |
|
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