| Name |
Aquilegioside H |
| Formula |
C48H78O20 |
| Mw |
974.50864493 |
| CAS RN |
672940-73-7 |
| C_ID |
C00029712
, 
|
| InChIKey |
JLEIZHHBZFYFEV-ONNZFDLVNA-N |
| InChICode |
InChI=1S/C48H78O20/c1-20(22-13-28(53)46(6,68-22)19-62-40-37(60)34(57)31(54)23(15-49)63-40)30-21(52)14-45(5)27-8-7-26-43(2,3)29(9-10-47(26)18-48(27,47)12-11-44(30,45)4)66-42-39(36(59)33(56)25(17-51)65-42)67-41-38(61)35(58)32(55)24(16-50)64-41/h20,22-42,49-51,53-61H,7-19H2,1-6H3/t20-,22-,23-,24-,25-,26+,27+,28+,29+,30+,31-,32-,33-,34+,35+,36+,37-,38-,39-,40-,41+,42+,44-,45+,46+,47-,48+/m1/s1 |
| SMILES |
C1[C@@H](C([C@H]2[C@]3(C1)[C@]1([C@@H](CC2)[C@]2([C@](CC1)([C@H](C(=O)C2)[C@@H]([C@@H]1O[C@]([C@H](C1)O)(CO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C)C)C)C)C3)(C)C)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)CO)O)O)O)O)O)CO |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Ranunculaceae | Aquilegia vulgaris L  | Ref. |
|
|
zoom in
| Organism | Aquilegia vulgaris L |
|---|
| Reference | Nishida,Chem.Pharm.Bull.,51,(2003),683
Nishida,Chem.Pharm.Bull.,51,(2003),956 |
|---|
|
