| Name |
Bahienoside A
(-)-Bahienoside A |
| Formula |
C44H59N2O18 |
| Mw |
903.3762881 |
| CAS RN |
552333-59-2 |
| C_ID |
C00026770
, 
|
| InChIKey |
LQIRTDPVBLPFPL-MHKXPRNGNA-N |
| InChICode |
InChI=1S/C44H58N2O18/c1-5-20-22(26(39(55)57-3)18-59-41(20)63-43-37(53)35(51)33(49)30(16-47)61-43)11-13-46-14-12-24-23-9-7-8-10-28(23)45-32(24)29(46)15-25-21(6-2)42(60-19-27(25)40(56)58-4)64-44-38(54)36(52)34(50)31(17-48)62-44/h5-10,18-22,25,29-31,33-38,41-45,47-54H,1-2,11-17H2,3-4H3/t20-,21+,22-,25-,29-,30+,31+,33-,34-,35+,36+,37+,38+,41+,42+,43+,44+/m1/s1 |
| SMILES |
O1[C@@H](O[C@@H]2OC=C([C@@H]([C@@H]2C=C)C[C@@H]2c3c(CCN2CC[C@H]2C(=CO[C@@H](O[C@@H]4O[C@H]([C@@H](O)[C@H](O)[C@@H]4O)CO)[C@@H]2C=C)C(=O)OC)c2c([nH]3)cccc2)C(=O)OC)[C@@H](O)[C@H]([C@@H]([C@@H]1CO)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Trp Secologanin |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Rubiaceae | Psychotria bahiensis | Ref. |
|
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