3',4',5-Trihydroxy-3,7-dimethoxyflavone 5-glucoside
PubChem CID: 74978422
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| Compound Synonyms | 3',4',5-Trihydroxy-3,7-dimethoxyflavone 5-glucoside, CHEBI:191513, 2-(3,4-dihydroxyphenyl)-3,7-dimethoxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
|---|---|
| Topological Polar Surface Area | 185.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Inchi Key | IRESPESAHWABCC-UHFFFAOYSA-N |
| Rotatable Bond Count | 6.0 |
| Synonyms | 3,7-Dimethylquercetin 5-glucoside, 3',4',5-Trihydroxy-3,7-dimethoxyflavone 5-glucoside, Quercetin 3,7-dimethyl ether 5-glucoside |
| Heavy Atom Count | 35.0 |
| Compound Name | 3',4',5-Trihydroxy-3,7-dimethoxyflavone 5-glucoside |
| Description | Isolated from maize (Zea mays) whorl tissue. 3,7-Dimethylquercetin 5-glucoside is found in cereals and cereal products and corn. |
| Exact Mass | 492.127 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 492.127 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 788.0 |
| Hydrogen Bond Acceptor Count | 12.0 |
| Molecular Weight | 492.4 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3,4-dihydroxyphenyl)-3,7-dimethoxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C23H24O12/c1-31-10-6-13-16(14(7-10)34-23-20(30)19(29)17(27)15(8-24)35-23)18(28)22(32-2)21(33-13)9-3-4-11(25)12(26)5-9/h3-7,15,17,19-20,23-27,29-30H,8H2,1-2H3 |
| Smiles | COC1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C(=C(O2)C4=CC(=C(C=C4)O)O)OC |
| Xlogp | 0.5 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C23H24O12 |
- 1. Outgoing r'ship
FOUND_INto/from Zea Mays (Plant) Rel Props:Source_db:fooddb_chem_all