| Name |
Caucasicoside D |
| Formula |
C49H76O24S |
| Mw |
1080.44472409 |
| CAS RN |
1011527-19-7 |
| C_ID |
C00033704
, 
|
| InChIKey |
JRCHRRYFOVYVSX-LGAYJXDWNA-N |
| InChICode |
InChI=1S/C49H76O24S/c1-19(16-64-44-40(59)38(57)36(55)30(15-50)69-44)6-9-28-20(2)33-29(68-28)14-26-24-8-7-22-12-23(51)13-32(49(22,5)25(24)10-11-48(26,33)4)70-47-43(37(56)31(18-66-47)73-74(61,62)63)72-46-41(60)42(34(53)21(3)67-46)71-45-39(58)35(54)27(52)17-65-45/h7,21,23-27,29-47,50-60H,1,6,8-18H2,2-5H3,(H,61,62,63)/t21-,23+,24+,25-,26-,27+,29-,30+,31-,32+,33-,34-,35-,36-,37-,38-,39+,40+,41+,42+,43+,44+,45-,46-,47-,48-,49-/m0/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)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O)O)OS(=O)(=O)O)C)CC[C@]1([C@H]3C[C@H]2[C@@H]1C(=C(O2)CCC(=C)CO[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)C)C)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Ranunculaceae | Helleborus caucasicus | Ref. |
|
|
zoom in
|
