Tuberoside F
PubChem CID: 157010008
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| Compound Synonyms | Tuberoside F |
|---|---|
| Topological Polar Surface Area | 355.0 |
| Hydrogen Bond Donor Count | 13.0 |
| Inchi Key | WUEKEPWPDVRLTE-MDVINBTASA-N |
| Rotatable Bond Count | 14.0 |
| Heavy Atom Count | 75.0 |
| Compound Name | Tuberoside F |
| Description | Tuberoside f is a member of the class of compounds known as steroidal glycosides. Steroidal glycosides are sterol lipids containing a carbohydrate moiety glycosidically linked to the steroid skeleton. Tuberoside f is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Tuberoside f can be found in potato, which makes tuberoside f a potential biomarker for the consumption of this food product. |
| Exact Mass | 1078.56 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 1078.56 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1950.0 |
| Hydrogen Bond Acceptor Count | 23.0 |
| Molecular Weight | 1079.2 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[4-hydroxy-6-[[(6Z)-15-hydroxy-7-methoxy-7,9,13-trimethyl-6-[3-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutylidene]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-16-yl]oxy]-2-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol |
| Total Atom Stereocenter Count | 32.0 |
| Total Bond Stereocenter Count | 1.0 |
| Inchi | InChI=1S/C52H86O23/c1-20(19-67-46-39(62)38(61)35(58)30(17-53)72-46)8-11-32-52(6,66-7)45-29(70-32)15-26-24-10-9-23-14-28(27(55)16-51(23,5)25(24)12-13-50(26,45)4)71-49-44(75-48-41(64)37(60)34(57)22(3)69-48)42(65)43(31(18-54)73-49)74-47-40(63)36(59)33(56)21(2)68-47/h11,20-31,33-49,53-65H,8-10,12-19H2,1-7H3/b32-11- |
| Smiles | CC1C(C(C(C(O1)OC2C(OC(C(C2O)OC3C(C(C(C(O3)C)O)O)O)OC4CC5CCC6C(C5(CC4O)C)CCC7(C6CC8C7C(/C(=C/CC(C)COC9C(C(C(C(O9)CO)O)O)O)/O8)(C)OC)C)CO)O)O)O |
| Xlogp | -1.5 |
| Defined Bond Stereocenter Count | 1.0 |
| Molecular Formula | C52H86O23 |
- 1. Outgoing r'ship
FOUND_INto/from Solanum Tuberosum (Plant) Rel Props:Source_db:fooddb_chem_all