| Name |
Hellebosaponin A
(-)-Hellebosaponin A |
| Formula |
C58H88O29 |
| Mw |
1248.54112685 |
| CAS RN |
606142-79-4 |
| C_ID |
C00033903
, 
|
| InChIKey |
GWKXWFUKJVEVIT-QXIZSTQZNA-N |
| InChICode |
InChI=1S/C58H88O29/c1-21-15-78-58(48(71)43(21)83-51-41(69)39(67)37(65)22(2)79-51)31(16-74-24(4)60)36-34(87-58)14-30-28-9-8-26-12-27(62)13-35(56(26,7)29(28)10-11-55(30,36)6)82-53-47(45(33(64)18-76-53)84-50-40(68)38(66)32(63)17-75-50)86-52-42(70)46(44(23(3)80-52)81-25(5)61)85-54-49(72)57(73,19-59)20-77-54/h8,22-23,27-54,59,62-73H,1,9-20H2,2-7H3/t22-,23+,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+,56+,57-,58+/m1/s1 |
| SMILES |
C1[C@@H](CC2=CC[C@@H]3[C@@H]([C@]2([C@@H]1O[C@@H]1OC[C@@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)OC(=O)C)O[C@@H]1OC[C@]([C@H]1O)(O)CO)O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O)C)CC[C@]1([C@H]3C[C@H]2[C@@H]1[C@@H]([C@@]1(O2)OCC(=C)[C@@H]([C@@H]1O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)C)O)O)O)COC(=O)C)C)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Ranunculaceae | Helleborus caucasicus | Ref. |
|
|
zoom in
| Organism | Helleborus caucasicus |
|---|
| Reference | Bassarello,Phytochem.,69,(2008),1227 |
|---|
|
