Name |
Sennoside A |
Formula |
C42H38O20 |
Mw |
862.19564366 |
CAS RN |
81-27-6 |
C_ID |
C00002863
,
|
InChIKey |
IPQVTOJGNYVQEO-SLRDRZARNA-N |
InChICode |
InChI=1S/C42H38O20/c43-11-23-31(47)35(51)37(53)41(61-23)59-21-5-1-3-15-25(17-7-13(39(55)56)9-19(45)27(17)33(49)29(15)21)26-16-4-2-6-22(60-42-38(54)36(52)32(48)24(12-44)62-42)30(16)34(50)28-18(26)8-14(40(57)58)10-20(28)46/h1-10,23-26,31-32,35-38,41-48,51-54H,11-12H2,(H,55,56)(H,57,58)/t23-,24-,25-,26-,31+,32+,35+,36+,37-,38-,41-,42-/m1/s1 |
SMILES |
c1ccc2c(c1O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)C(=O)c1c([C@@H]2[C@@H]2c3c(c(ccc3)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)C(=O)c3c2cc(cc3O)C(=O)O)cc(cc1O)C(=O)O |
Start Substs in Alk. Biosynthesis (Prediction) |
|
Organism |
Kingdom |
Family |
Species |
Reference |
Plantae | Fabaceae | Cassia acutifolia | Ref. |
Plantae | Fabaceae | Cassia angustifolia | Ref. |
Plantae | Fabaceae | Cassia senna | Ref. |
Plantae | Polygonaceae | Rheum officinale | Ref. |
Plantae | Polygonaceae | Rheum palmatum | Ref. |
Plantae | Polygonaceae | Rheum tanguticum | Ref. |
- | - | Cathartic principle | Ref. |
|
|
zoom in
|