6''-O-Galloylquercimeritrin
PubChem CID: 74977604
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| Compound Synonyms | 6''-O-Galloylquercimeritrin, CHEBI:172773, [6-[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate |
|---|---|
| Topological Polar Surface Area | 273.0 |
| Hydrogen Bond Donor Count | 10.0 |
| Inchi Key | USBMLXYFQKQZDJ-UHFFFAOYSA-N |
| Rotatable Bond Count | 7.0 |
| Synonyms | 6''-O-Galloylquercimeritrin, Quercetin 7-(6''-acetylglucoside) |
| Heavy Atom Count | 44.0 |
| Compound Name | 6''-O-Galloylquercimeritrin |
| Description | Constituent of the pods of Acacia farnesiana (sweet acacia). Quercetin 7-(6''-acetylglucoside) is found in safflower. |
| Exact Mass | 616.106 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 616.106 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1070.0 |
| Hydrogen Bond Acceptor Count | 16.0 |
| Molecular Weight | 616.5 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [6-[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate |
| Total Atom Stereocenter Count | 5.0 |
| Nih Violation | True |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C28H24O16/c29-12-2-1-9(3-13(12)30)26-24(38)22(36)19-14(31)6-11(7-17(19)43-26)42-28-25(39)23(37)21(35)18(44-28)8-41-27(40)10-4-15(32)20(34)16(33)5-10/h1-7,18,21,23,25,28-35,37-39H,8H2 |
| Smiles | C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)COC(=O)C5=CC(=C(C(=C5)O)O)O)O)O)O)O)O)O)O |
| Xlogp | 1.0 |
| Is Pains | True |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C28H24O16 |
- 1. Outgoing r'ship
FOUND_INto/from Carthamus Tinctorius (Plant) Rel Props:Source_db:fooddb_chem_all