6-[(3R,4S,6S)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
PubChem CID: 157009767
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| Topological Polar Surface Area | 163.0 |
|---|---|
| Hydrogen Bond Donor Count | 5.0 |
| Inchi Key | ZXKDFTZACWMRCV-QHXVAADCSA-N |
| Rotatable Bond Count | 3.0 |
| Heavy Atom Count | 32.0 |
| Compound Name | 6-[(3R,4S,6S)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one |
| Description | 3'-o-methylderhamnosylmaysin is a member of the class of compounds known as flavonoid c-glycosides. Flavonoid c-glycosides are compounds containing a carbohydrate moiety which is C-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone. 3'-o-methylderhamnosylmaysin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 3'-o-methylderhamnosylmaysin can be found in corn, which makes 3'-o-methylderhamnosylmaysin a potential biomarker for the consumption of this food product. |
| Exact Mass | 444.106 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 444.106 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 768.0 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 444.4 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | 6-[(3R,4S,6S)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C22H20O10/c1-8-18(26)20(28)21(29)22(31-8)17-12(25)7-15-16(19(17)27)11(24)6-13(32-15)9-3-4-10(23)14(5-9)30-2/h3-8,20-23,25,27-29H,1-2H3/t8-,20+,21+,22?/m0/s1 |
| Smiles | C[C@H]1C(=O)[C@H]([C@H](C(O1)C2=C(C3=C(C=C2O)OC(=CC3=O)C4=CC(=C(C=C4)O)OC)O)O)O |
| Xlogp | 1.1 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C22H20O10 |
- 1. Outgoing r'ship
FOUND_INto/from Zea Mays (Plant) Rel Props:Source_db:fooddb_chem_all