| Name |
Scrophuloside A5
(+)-Scrophuloside A5 |
| Formula |
C43H50O19 |
| Mw |
870.29462942 |
| CAS RN |
240819-79-8 |
| C_ID |
C00049595
, 
|
| InChIKey |
BUIPMVNSPLYJFB-MAROVXGQNA-N |
| InChICode |
InChI=1S/C43H50O19/c1-21-35(58-29(47)15-9-23-5-11-25(52-3)12-6-23)37(59-30(48)16-10-24-7-13-26(53-4)14-8-24)38(56-22(2)46)42(55-21)60-36-27-17-18-54-40(31(27)43(20-45)39(36)62-43)61-41-34(51)33(50)32(49)28(19-44)57-41/h5-18,21,27-28,31-42,44-45,49-51H,19-20H2,1-4H3/b15-9+,16-10+/t21-,27-,28+,31?,32-,33-,34+,35-,36-,37+,38+,39-,40-,41-,42-,43+/m0/s1 |
| SMILES |
C1=C[C@H]2[C@H]([C@@H](O1)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@]1([C@H]([C@H]2O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)OC(=O)/C=C/c2ccc(cc2)OC)OC(=O)/C=C/c2ccc(cc2)OC)OC(=O)C)O1)CO |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Scrophulariaceae | Scrophularia nodosa L.  | Ref. |
|
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