| 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 |
C=C(CCC1=C(C)[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)C[C@@H](O[C@@H]6OC[C@H](OS(=O)(=O)O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)[C@]5(C)[C@H]4CC[C@@]32C)O1)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Ranunculaceae | Helleborus caucasicus | Ref. |
|
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