Quercetagetin 3'-methylether 7-glucoside
PubChem CID: 74208821
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| Compound Synonyms | Quercetagetin 3'-methylether 7-glucoside, CHEBI:178179, 3,5,6-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
|---|---|
| Topological Polar Surface Area | 216.0 |
| Hydrogen Bond Donor Count | 8.0 |
| Inchi Key | WJYMEDBNOOSKGW-UHFFFAOYSA-N |
| Rotatable Bond Count | 5.0 |
| Synonyms | 3-Isoxazolecarboxylic acid, 4-benzoyl-, ethyl ester, 3,4',5,6,7-Pentahydroxy-3'-methoxyflavone 7-O-b-D-glucopyranoside, 3,4',5,6,7-Pentahydroxy-3'-methoxyflavone 7-O-glucoside, 4-Benzoyl-3-isoxazolecarboxylic acid ethyl ester, Quercetagetin 3'-methyl ether 7-glucoside |
| Heavy Atom Count | 35.0 |
| Compound Name | Quercetagetin 3'-methylether 7-glucoside |
| Description | Isolated from Chrysanthemum coronarium (chop-suey greens). Quercetagetin 3'-methylether 7-glucoside is found in garland chrysanthemum and herbs and spices. |
| Exact Mass | 494.106 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 494.106 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 804.0 |
| Hydrogen Bond Acceptor Count | 13.0 |
| Molecular Weight | 494.4 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,5,6-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[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/C22H22O13/c1-32-9-4-7(2-3-8(9)24)21-19(30)17(28)13-10(33-21)5-11(14(25)16(13)27)34-22-20(31)18(29)15(26)12(6-23)35-22/h2-5,12,15,18,20,22-27,29-31H,6H2,1H3 |
| Smiles | COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O |
| Xlogp | 0.3 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C22H22O13 |
- 1. Outgoing r'ship
FOUND_INto/from Chrysanthemum Coronarium (Plant) Rel Props:Source_db:fooddb_chem_all