| Name |
Avenacoside A |
| Formula |
C51H82O23 |
| Mw |
1062.52468893 |
| CAS RN |
24915-65-9 |
| C_ID |
C00003564
, 
|
| InChIKey |
AAJHVVLGKCKBSH-QXIIVAJZNA-N |
| InChICode |
InChI=1S/C51H82O23/c1-20-31-27(73-51(20)13-12-48(3,74-51)19-65-44-38(61)36(59)33(56)28(16-52)68-44)15-26-24-7-6-22-14-23(8-10-49(22,4)25(24)9-11-50(26,31)5)67-47-43(72-46-40(63)37(60)34(57)29(17-53)69-46)41(64)42(30(18-54)70-47)71-45-39(62)35(58)32(55)21(2)66-45/h6,20-21,23-47,52-64H,7-19H2,1-5H3/t20-,21+,23-,24+,25-,26-,27-,28+,29+,30-,31-,32-,33+,34+,35-,36-,37-,38+,39+,40+,41-,42+,43+,44+,45-,46-,47-,48-,49-,50-,51-/m0/s1 |
| SMILES |
CC1O[C@@H](O[C@@H]2C(CO)O[C@@H](O[C@H]3CC[C@@]4(C)C(=CC[C@H]5[C@@H]6C[C@@H]7O[C@]8(CC[C@@](C)(CO[C@@H]9OC(CO)[C@@H](O)C(O)C9O)O8)[C@@H](C)[C@@H]7[C@@]6(C)CC[C@@H]54)C3)C(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)[C@H]2O)C(O)[C@@H](O)[C@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Poaceae | Avena sativa  | Ref. |
|
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