| Name |
Agamenoside A |
| Formula |
C56H92O28 |
| Mw |
1212.57751236 |
| CAS RN |
475572-31-7 |
| C_ID |
C00055163
|
| InChIKey |
BYBHDVRWAIHRJO-CBOQUOLLSA-N |
| InChICode |
InChI=1S/C56H92O28/c1-19-10-33(62)56(74-17-19)20(2)34-29(84-56)13-25-23-12-27(60)26-11-22(6-8-54(26,4)24(23)7-9-55(25,34)5)76-51-43(71)40(68)45(32(16-59)79-51)80-53-48(47(38(66)31(15-58)78-53)82-49-41(69)36(64)28(61)18-73-49)83-52-44(72)46(37(65)30(14-57)77-52)81-50-42(70)39(67)35(63)21(3)75-50/h19-53,57-72H,6-18H2,1-5H3/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+,51-,52+,53+,54-,55+,56+/m1/s1 |
| SMILES |
O[C@H]([C@@H](O)[C@H](O)CO1)[C@]1([H])O[C@@H]([C@H](O)[C@@H](CO)O2)[C@@H](O[C@@]3([H])[C@H](O)[C@@H](O[C@@]4([H])[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)[C@H](O)[C@@H](CO)O3)[C@]2([H])O[C@H]([C@H](O)[C@H]5O)[C@@H](CO)O[C@@]5([H])O[C@H]6CC[C@]7(C)[C@@]8([H])CC[C@]9(C)[C@]%10([H])[C@](O[C@@]%11(OC[C@H](C)C[C@@H]%11O)[C@H]%10C)([H])C[C@@]9([H])[C@]8([H])C[C@H](O)[C@@]7([H])C6 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Agavaceae | Agave americana  | Ref. |
|
|
zoom in
| Organism | Agave americana |
|---|
| Reference | Ripperger, H. et al., Chem. Ber., 1967, 100, 1741-1752
1968, 101, 2450-2458 (isol, struct, Paniculogenin, Paniculonins) |
|---|
|
