| Name |
Aquilegioside D |
| Formula |
C49H80O20 |
| Mw |
988.524295 |
| CAS RN |
640722-48-1 |
| C_ID |
C00029708
, 
|
| InChIKey |
YBGCHKJKBSHMQJ-ZUKLFKBWNA-N |
| InChICode |
InChI=1S/C49H80O20/c1-21(18-63-41-37(60)34(57)31(54)25(15-50)64-41)23(53)14-24-22(2)40-45(5)12-13-48-20-47(48)11-10-30(44(3,4)28(47)8-9-29(48)46(45,6)19-49(40,62-7)69-24)67-43-39(36(59)33(56)27(17-52)66-43)68-42-38(61)35(58)32(55)26(16-51)65-42/h21-22,24-43,50-52,54-61H,8-20H2,1-7H3/t21-,22-,24+,25-,26-,27-,28+,29+,30+,31-,32-,33+,34+,35+,36+,37-,38-,39-,40-,41-,42+,43+,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@@H](CO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)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. |
|
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