| Name |
Agamenoside B |
| Formula |
C50H82O23 |
| Mw |
1050.52468893 |
| CAS RN |
475572-32-8 |
| C_ID |
C00054920
|
| InChIKey |
WRRAISMCUAHXHF-QGVKJUCTSA-N |
| InChICode |
InChI=1S/C50H82O23/c1-19-5-10-50(65-17-19)20(2)32-28(73-50)13-24-22-12-26(54)25-11-21(6-8-48(25,3)23(22)7-9-49(24,32)4)66-45-40(63)37(60)41(31(16-53)69-45)70-47-43(72-46-39(62)36(59)34(57)29(14-51)67-46)42(35(58)30(15-52)68-47)71-44-38(61)33(56)27(55)18-64-44/h19-47,51-63H,5-18H2,1-4H3/t19-,20+,21+,22-,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+/m1/s1 |
| SMILES |
O[C@H]([C@H]([C@H]1O[C@]2([H])O[C@@H]([C@H]([C@@H]([C@H]2O[C@]3([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O[C@@]4([H])[C@H](O)[C@@H](O)[C@H](O)CO4)O)CO)O)[C@@](O[C@@H]5C[C@@]([C@@H](O)C[C@@]6([C@@]7(CC[C@@]8(C)[C@]6(C[C@]9([C@@]8([C@H](C)[C@@]%10(OC[C@H](C)CC%10)O9)[H])[H])[H])[H])[H])([H])[C@]7(C)CC5)([H])O[C@@H]1CO |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Agavaceae | Agave americana  | Ref. |
|
|
zoom in
| Organism | Agave americana |
|---|
| Reference | Marker, R.E. et al., JACS, 1942, 64, 809-813 (Chlorogenin, struct) |
|---|
|
