| Name |
Ascalonicoside A1 |
| Formula |
C45H74O19 |
| Mw |
918.48243018 |
| CAS RN |
473555-58-7 |
| C_ID |
C00054796
|
| InChIKey |
MYVJSVSGFJDUAQ-QTLRKDBRSA-N |
| InChICode |
InChI=1S/C45H74O19/c1-18(17-58-42-39(36(54)33(51)28(16-47)61-42)63-40-37(55)34(52)31(49)20(3)59-40)8-11-45(57)19(2)30-26(64-45)14-25-23-7-6-21-12-22(48)13-29(44(21,5)24(23)9-10-43(25,30)4)62-41-38(56)35(53)32(50)27(15-46)60-41/h6,18-20,22-42,46-57H,7-17H2,1-5H3/t18-,19+,20+,22-,23-,24+,25+,26+,27-,28-,29-,30+,31+,32+,33-,34-,35+,36+,37-,38-,39-,40?,41+,42-,43+,44+,45-/m1/s1 |
| SMILES |
O[C@H]([C@@H](O)[C@@H](O)[C@@H](CO)O1)[C@@H]1O[C@H](C[C@H](O)C2)[C@@]3(C)C2=CC[C@]4([H])[C@]3([H])CC[C@@]5(C)[C@@]4([H])C[C@@]6([H])[C@]5([H])[C@H](C)[C@](CC[C@@H](C)CO[C@H]7[C@H](OC8[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O8)[C@@H](O)[C@H](O)[C@@H](CO)O7)(O)O6 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Alliaceae | Allium ascalonicum  | Ref. |
|
|
zoom in
| Organism | Allium ascalonicum |
|---|
| Reference | Kravets, S.D. et al., Chem. Nat. Compd. (Engl. Transl.), 1986, 22, 174-181 (Alliofuroside A) |
|---|
|
