| Name |
Gladiatoside B1
(-)-Gladiatoside B1 |
| Formula |
C47H56O25 |
| Mw |
1020.31106734 |
| CAS RN |
316141-26-1 |
| C_ID |
C00032996
, 
|
| InChIKey |
NSMFKKWRTGCCJP-OKABYTFPNA-N |
| InChICode |
InChI=1S/C47H56O25/c1-16-28(50)32(54)36(58)44(64-16)63-15-26-30(52)34(56)42(72-46-37(59)33(55)29(51)17(2)65-46)47(69-26)71-41-31(53)27-23(49)13-21(14-25(27)68-40(41)19-9-11-20(48)12-10-19)67-45-38(60)35(57)39(18(3)66-45)70-43(61)22-7-5-6-8-24(22)62-4/h5-14,16-18,26,28-30,32-39,42,44-52,54-60H,15H2,1-4H3/t16-,17-,18-,26+,28-,29-,30-,32+,33+,34-,35-,36+,37+,38+,39-,42+,44+,45-,46-,47-/m0/s1 |
| SMILES |
c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O)O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)c1ccc(cc1)O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)OC(=O)c1c(cccc1)OC)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Fabaceae | Canavalia gladiata  | Ref. |
|
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