| Name |
Pastuchoside A
(-)-Pastuchoside A (C71 saponin) |
| Formula |
C71H116O35 |
| Mw |
1528.72971548 |
| CAS RN |
848909-30-8 |
| C_ID |
C00032110
, 
|
| InChIKey |
KYZZRGGXCALBDR-TVUCWKRONA-N |
| InChICode |
InChI=1S/C71H116O35/c1-26-38(75)43(80)49(86)59(95-26)103-55-31(21-72)98-58(53(90)47(55)84)93-23-33-41(78)46(83)52(89)63(100-33)106-65(92)71-18-16-66(4,5)20-30(71)29-10-11-36-67(6)14-13-37(68(7,25-74)35(67)12-15-70(36,9)69(29,8)17-19-71)102-64-57(105-61-51(88)45(82)40(77)28(3)97-61)42(79)34(24-94-64)101-62-54(91)48(85)56(32(22-73)99-62)104-60-50(87)44(81)39(76)27(2)96-60/h10,26-28,30-64,72-91H,11-25H2,1-9H3/t26-,27-,28-,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+,56+,57+,58+,59-,60-,61-,62+,63-,64-,67-,68-,69+,70+,71-/m0/s1 |
| SMILES |
C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]45C)[C@]3(C)CO)OC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Araliaceae | Hedera pastuchowii | Ref. |
|
|
zoom in
| Organism | Hedera pastuchowii |
|---|
| Reference | Mshvildadze,Chem.Pharm.Bull.,52,(2004),1411 |
|---|
|
