| Name |
Brodiosaponin A
(-)-Brodiosaponin A |
| Formula |
C44H70O20 |
| Mw |
918.44604468 |
| CAS RN |
189351-04-0 |
| C_ID |
C00050277
, 
|
| InChIKey |
MJVNBZSWECNFRZ-RVQFAKPYNA-N |
| InChICode |
InChI=1S/C44H70O20/c1-15-13-58-44(38(56)29(15)49)16(2)28-24(64-44)10-21-20-7-6-18-8-19(46)9-27(42(18,4)22(20)11-26(48)43(21,28)5)61-41-37(63-40-35(55)33(53)30(50)17(3)59-40)36(32(52)25(12-45)60-41)62-39-34(54)31(51)23(47)14-57-39/h6,15-17,19-41,45-56H,7-14H2,1-5H3/t15-,16+,17+,19-,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+/m1/s1 |
| SMILES |
C1[C@@H](CC2=CC[C@H]3[C@@H]([C@]2([C@@H]1O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O)CO)C)C[C@H]([C@]1([C@H]3C[C@H]2[C@@H]1[C@@H]([C@@]1(O2)OC[C@H]([C@@H]([C@@H]1O)O)C)C)C)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Themidaceae | Brodiaea californica | Ref. |
|
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