| 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 |
C1[C@@H](C([C@H]2[C@]3(C1)[C@]1([C@@H](CC2)[C@]2([C@](CC1)([C@@H]1[C@@](C2)(OC)O[C@H]([C@H]1C)CC(=O)[C@](CO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)(C)O)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. |
|
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