| Name |
Macrostemonoside C |
| Formula |
C58H98O29 |
| Mw |
1258.61937717 |
| CAS RN |
170739-18-1 |
| C_ID |
C00051410
|
| InChIKey |
FVRRPCXXNMTZTE-NVXZFXQPNA-N |
| InChICode |
InChI=1S/C58H98O29/c1-22(21-77-51-44(72)40(68)36(64)30(16-59)79-51)8-13-58(76-5)23(2)35-29(87-58)15-28-26-7-6-24-14-25(9-11-56(24,3)27(26)10-12-57(28,35)4)78-52-47(75)43(71)48(34(20-63)83-52)84-55-50(86-54-46(74)42(70)38(66)32(18-61)81-54)49(39(67)33(19-62)82-55)85-53-45(73)41(69)37(65)31(17-60)80-53/h22-55,59-75H,6-21H2,1-5H3/t22-,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+,57+,58?/m1/s1 |
| SMILES |
COC1(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]2[C@@H]1C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Alliaceae | Allium macrostemon  | Ref. |
|
|
zoom in
| Organism | Allium macrostemon |
|---|
| Reference | Chen, et al., Zhongguo Yaowu Huaxue Zazhi, 14, (2005), 142 |
|---|
|
