| Name |
Bacoside A2 |
| Formula |
C46H74O17 |
| Mw |
898.49260094 |
| CAS RN |
58798-95-1 |
| C_ID |
C00029783
, 
|
| InChIKey |
MOTXTNHNHWTPDJ-RQMUDEBENA-N |
| InChICode |
InChI=1S/C46H74O17/c1-21(2)14-22-16-58-46-19-45(20-59-46)23(37(46)44(22,7)55)8-9-28-42(5)12-11-29(41(3,4)27(42)10-13-43(28,45)6)62-40-35(54)32(51)36(63-40)26(61-38-33(52)30(49)24(48)17-56-38)18-57-39-34(53)31(50)25(15-47)60-39/h14,22-40,47-55H,8-13,15-20H2,1-7H3/t22-,23-,24+,25+,26-,27+,28-,29+,30+,31-,32-,33-,34-,35-,36-,37+,38+,39+,40+,42+,43-,44+,45+,46-/m1/s1 |
| SMILES |
C1[C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@@]23[C@H](CC1)[C@@H]1[C@](C2)(OC[C@H]([C@@]1(O)C)C=C(C)C)OC3)C)C)(C)C)O[C@@H]1[C@@H]([C@H]([C@H](O1)[C@@H](CO[C@@H]1[C@@H]([C@@H]([C@@H](O1)CO)O)O)O[C@H]1[C@@H]([C@H]([C@H](CO1)O)O)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Plantaginaceae | Bacopa monnieri  | Ref. |
|
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