| Name |
Scrophuloside A4
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 |
COc1ccc(/C=C/C(=O)O[C@@H]2[C@@H](OC(=O)/C=C/c3ccc(OC)cc3)[C@H](C)O[C@@H](O[C@H]3[C@@H]4C=CO[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H]4[C@@]4(CO)O[C@@H]34)[C@@H]2OC(C)=O)cc1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Scrophulariaceae | Scrophularia ningpoensis  | Ref. |
| Plantae | Scrophulariaceae | Scrophularia nodosa L. | Ref. |
|
|
zoom in
|
