Sennoside
PubChem CID: 5199
Connections displayed (default: 10).
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| Compound Synonyms | Sennosides, 517-43-1, sennoside, Sennaglucosides, Sennoside A1, Senna, Cassia obovata, ext., Sennoside A&B, Senna-lax, SENNOSIDES (250 MG), Sennoside [JAN], SENNA, 9-[2-carboxy-4-hydroxy-10-oxo-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracene-2-carboxylic acid, 85085-71-8, EINECS 208-238-9, UNII-9VK7V8762D, Senna glycosides, NSC112929, NSC112930, 62211-03-4, NSC-112929, NSC-112930, 5,5'-bis(hexopyranosyloxy)-4,4'-dihydroxy-10,10'-dioxo-9,9',10,10'-tetrahydro-9,9'-bianthracene-2,2'-dicarboxylic acid, Sennoside A1 , HPLC Grade, CHEMBL54481, SCHEMBL19235654, DTXSID20859118, 9VK7V8762D, HMS3373D11, BCP14626, BCP14631, HY-N0365, RCA57530, MFCD32068370, STL453210, AKOS015895190, DB11365, 5,5'-Bis(beta-D-glucopyranosyloxy)-4,4'-dihydroxy(9,9'-bianthrachinon)-2,2'-dicarbonsaeure, (9,9'-Bianthracene)-2,2'-dicarboxylic acid, 5,5'-bis(beta-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo-, 5,5'-Bis(beta-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo(9,9'-bianthracene)-2,2'-dicarboxylic acid, DB-041901, DB-056508, CS-0008914, [9,2'-dicarboxylic acid, 5,5'-bis(.beta.-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo-, (R*,R*)- (VA, 5,5'-Bis(hexopyranosyloxy)-4,4'-dihydroxy-10,10'-dioxo-9,9',10,10'-tetrahydro[9,9'-bianthracene]-2,2'-dicarboxylic acid |
|---|---|
| Topological Polar Surface Area | 348.0 |
| Hydrogen Bond Donor Count | 12.0 |
| Heavy Atom Count | 62.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1550.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9-[2-carboxy-4-hydroxy-10-oxo-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracene-2-carboxylic acid |
| Prediction Hob | 0.0 |
| Xlogp | 1.2 |
| Molecular Formula | C42H38O20 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IPQVTOJGNYVQEO-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -4.906 |
| Rotatable Bond Count | 9.0 |
| Logd | 1.369 |
| Compound Name | Sennoside |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 862.196 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 862.196 |
| Hydrogen Bond Acceptor Count | 20.0 |
| Molecular Weight | 862.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 12.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.63747681290323 |
| Inchi | 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) |
| Smiles | C1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C4=C(C2C5C6=C(C(=CC=C6)OC7C(C(C(C(O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)C(=O)O)C=C(C=C4O)C(=O)O |
| Nring | 8.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Senna Alexandrina (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all