| Name |
Aquilegioside E |
| Formula |
C49H80O21 |
| Mw |
1004.51920962 |
| CAS RN |
640722-50-5 |
| C_ID |
C00029709
, 
|
| InChIKey |
BCDXAYZABZINKR-VWBXVEFCNA-N |
| InChICode |
InChI=1S/C49H80O21/c1-21-22(14-28(53)46(6,62)20-64-40-36(60)33(57)30(54)23(15-50)65-40)70-49(63-7)18-45(5)27-9-8-26-43(2,3)29(10-11-47(26)19-48(27,47)13-12-44(45,4)39(21)49)68-42-38(35(59)32(56)25(17-52)67-42)69-41-37(61)34(58)31(55)24(16-51)66-41/h21-27,29-42,50-52,54-62H,8-20H2,1-7H3/t21-,22+,23?,24-,25-,26+,27+,29+,30-,31-,32+,33+,34+,35+,36-,37-,38-,39-,40-,41+,42+,44-,45+,46-,47-,48+,49+/m1/s1 |
| SMILES |
CO[C@]12C[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@@]56C[C@@]46CC[C@]3(C)C1[C@H](C)[C@H](CC(=O)C(C)(O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O2 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Ranunculaceae | Aquilegia vulgaris L  | Ref. |
|
|
zoom in
|
