Name |
Scropolioside B |
Formula |
C41H46O17 |
Mw |
810.27350005 |
CAS RN |
116084-90-3 |
C_ID |
C00034976
,
|
InChIKey |
PCHWYSGBVKSPAM-YHLNEPMPNA-N |
InChICode |
InChI=1S/C41H46O17/c1-21-33(54-27(45)15-13-23-9-5-3-6-10-23)35(55-28(46)16-14-24-11-7-4-8-12-24)36(52-22(2)44)40(51-21)56-34-25-17-18-50-38(29(25)41(20-43)37(34)58-41)57-39-32(49)31(48)30(47)26(19-42)53-39/h3-18,21,25-26,29-40,42-43,47-49H,19-20H2,1-2H3/b15-13+,16-14+/t21-,25-,26+,29+,30+,31-,32+,33-,34-,35+,36+,37-,38-,39-,40-,41+/m0/s1 |
SMILES |
O1C=C[C@H]2[C@H]([C@@H]1O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)[C@@]1([C@H]([C@H]2O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)OC(=O)/C=C/c2ccccc2)OC(=O)/C=C/c2ccccc2)OC(=O)C)O1)CO |
Start Substs in Alk. Biosynthesis (Prediction) |
|
Organism |
Kingdom |
Family |
Species |
Reference |
Plantae | Scrophulariaceae | Scrophularia deserti | Ref. |
|
|
zoom in
|