| Name |
Medicoside I |
| Formula |
C52H84O22 |
| Mw |
1060.54542437 |
| CAS RN |
107241-23-6 |
| C_ID |
C00056417
|
| InChIKey |
FHQGZRLCCGQYRQ-XUQQJJBASA-N |
| InChICode |
InChI=1S/C52H84O22/c1-48(2)12-9-22-23(15-48)25-7-8-31-49(3)13-11-32(50(4,21-55)30(49)10-14-51(31,5)52(25,6)16-24(22)43(66)74-45-40(65)37(62)35(60)28(17-53)69-45)71-46-41(34(59)27(57)20-68-46)73-47-42(38(63)36(61)29(18-54)70-47)72-44-39(64)33(58)26(56)19-67-44/h7,22-24,26-42,44-47,53-65H,8-21H2,1-6H3/t22?,23-,24+,26+,27+,28-,29-,30-,31-,32+,33+,34+,35-,36-,37+,38+,39-,40-,41-,42-,44+,45+,46+,47+,49+,50+,51-,52-/m1/s1 |
| SMILES |
CC1(C)CCC2[C@@H](C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Fabaceae | Medicago sativa  | Ref. |
|
|
zoom in
| Organism | Medicago sativa |
|---|
| Reference | Mzhel'skaya, L.G. et al., Chem. Nat. Compd. (Engl. Transl.), 1966, 2, 345-348
1968, 4, 132-135
1968, 4, 186-189 (Leontosides D,E) |
|---|
|
