Operculin VII
PubChem CID: 157009834
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Operculin VII |
|---|---|
| Topological Polar Surface Area | 353.0 |
| Hydrogen Bond Donor Count | 9.0 |
| Inchi Key | SNOPFOASRYQPCY-UHFFFAOYSA-N |
| Rotatable Bond Count | 33.0 |
| Heavy Atom Count | 93.0 |
| Compound Name | Operculin VII |
| Description | Operculin vii is a member of the class of compounds known as oligosaccharides. Oligosaccharides are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds. Operculin vii is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Operculin vii can be found in sweet potato, which makes operculin vii a potential biomarker for the consumption of this food product. |
| Exact Mass | 1336.81 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 1336.81 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 2080.0 |
| Hydrogen Bond Acceptor Count | 25.0 |
| Molecular Weight | 1337.7 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [5-(5-decanoyloxy-3,4-dihydroxy-6-methyloxan-2-yl)oxy-6-methyl-2-[(7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl)oxy]-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl] dodecanoate |
| Total Atom Stereocenter Count | 26.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C68H120O25/c1-8-11-14-16-18-19-23-27-33-38-48(72)89-63-62(93-65-54(78)51(75)50(74)45(39-69)86-65)59(91-64-55(79)53(77)57(41(5)82-64)87-46(70)36-31-26-21-17-15-12-9-2)43(7)84-68(63)90-58-42(6)83-67-61(56(58)80)88-47(71)37-32-28-24-20-22-25-30-35-44(34-29-13-10-3)85-66-60(92-67)52(76)49(73)40(4)81-66/h40-45,49-69,73-80H,8-39H2,1-7H3 |
| Smiles | CCCCCCCCCCCC(=O)OC1C(C(C(OC1OC2C(OC3C(C2O)OC(=O)CCCCCCCCCC(OC4C(O3)C(C(C(O4)C)O)O)CCCCC)C)C)OC5C(C(C(C(O5)C)OC(=O)CCCCCCCCC)O)O)OC6C(C(C(C(O6)CO)O)O)O |
| Xlogp | 10.4 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C68H120O25 |
- 1. Outgoing r'ship
FOUND_INto/from Ipomoea Batatas (Plant) Rel Props:Source_db:fooddb_chem_all