Flavonol base + 4O, 1MeO, O-Hex-Hex
PubChem CID: 73822533
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Flavonol base + 4O, 1MeO, O-Hex-Hex |
|---|---|
| Topological Polar Surface Area | 295.0 |
| Hydrogen Bond Donor Count | 11.0 |
| Inchi Key | WRDDFOFFQDOVRV-UHFFFAOYSA-N |
| Rotatable Bond Count | 8.0 |
| Synonyms | Patuletin 3-gentiobioside |
| Heavy Atom Count | 46.0 |
| Compound Name | Flavonol base + 4O, 1MeO, O-Hex-Hex |
| Description | Isolated from spinach (Spinacea oleracea) leaves. Patuletin 3-gentiobioside is found in cauliflower and green vegetables. |
| Exact Mass | 656.159 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 656.159 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1090.0 |
| Hydrogen Bond Acceptor Count | 18.0 |
| Molecular Weight | 656.5 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C28H32O18/c1-41-25-11(32)5-12-15(18(25)35)19(36)26(24(43-12)8-2-3-9(30)10(31)4-8)46-28-23(40)21(38)17(34)14(45-28)7-42-27-22(39)20(37)16(33)13(6-29)44-27/h2-5,13-14,16-17,20-23,27-35,37-40H,6-7H2,1H3 |
| Smiles | COC1=C(C2=C(C=C1O)OC(=C(C2=O)OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)O)O)O)O)C5=CC(=C(C=C5)O)O)O |
| Xlogp | -1.8 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C28H32O18 |
- 1. Outgoing r'ship
FOUND_INto/from Brassica Oleracea (Plant) Rel Props:Source_db:fooddb_chem_all