| Name |
Macrostemonoside E |
| Formula |
C57H94O28 |
| Mw |
1226.59316242 |
| CAS RN |
151140-39-5 |
| C_ID |
C00051412
|
| InChIKey |
WUAJBQMHSCHIPY-HBRHDTJUNA-N |
| InChICode |
InChI=1S/C57H94O28/c1-21(20-75-51-44(71)40(67)36(63)30(15-58)78-51)5-8-28-22(2)35-29(77-28)14-27-25-7-6-23-13-24(9-11-56(23,3)26(25)10-12-57(27,35)4)76-52-47(74)43(70)48(34(19-62)82-52)83-55-50(85-54-46(73)42(69)38(65)32(17-60)80-54)49(39(66)33(18-61)81-55)84-53-45(72)41(68)37(64)31(16-59)79-53/h21,23-27,29-55,58-74H,5-20H2,1-4H3/t21-,23+,24+,25-,26+,27+,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+,57+/m1/s1 |
| SMILES |
CC1=C(CC[C@@H](C)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Alliaceae | Allium macrostemon  | Ref. |
|
|
zoom in
| Organism | Allium macrostemon |
|---|
| Reference | Peng, et al., Acta Pharmaceutica Sinica(Yaoxue Xuebao), 28, (1993), 526.
Chen, et al., Zhongguo Yaowu Huaxue Zazhi, 14, (2005), 142 |
|---|
|
