Chrysoeriol 4',7-diglucuronide
PubChem CID: 74977716
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| Compound Synonyms | Chrysoeriol 4',7-diglucuronide, 4-[7-(beta-D-Glucopyranuronosyloxy)-5-hydroxy-4-oxo-4H-1-benzopyran-2-yl]-2-methoxyphenyl beta-D-glucopyranosiduronic acid |
|---|---|
| Topological Polar Surface Area | 289.0 |
| Hydrogen Bond Donor Count | 9.0 |
| Inchi Key | XGVYZZQNJZYTNO-UHFFFAOYSA-N |
| Rotatable Bond Count | 8.0 |
| Synonyms | 2,2,2-Trifluoroethyl triflate, 2,2,2-Trifluoroethyl trifluorometanesulfonic acid, 2,2,2-Trifluoroethyl trifluoromethanesulfonate, 4-[7-(beta-D-Glucopyranuronosyloxy)-5-hydroxy-4-oxo-4H-1-benzopyran-2-yl]-2-methoxyphenyl beta-D-glucopyranosiduronic acid, 4',5,7-Trihydroxy-3'-methoxyflavone 4',7-di-O-b-D-glucuronopyranoside, Chrysoeriol 4',7-di-O-b-D-glucuronopyranoside, Chrysoeriol 4',7-diglucuronide, Chrysoeriol 7,4'-diglucuronide |
| Heavy Atom Count | 46.0 |
| Compound Name | Chrysoeriol 4',7-diglucuronide |
| Description | Constituent of the aerial parts of alfalfa (Medicago sativa). Chrysoeriol 4',7-diglucuronide is found in alfalfa and pulses. |
| Exact Mass | 652.128 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 652.128 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1160.0 |
| Hydrogen Bond Acceptor Count | 18.0 |
| Molecular Weight | 652.5 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-[4-[7-(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy-5-hydroxy-4-oxochromen-2-yl]-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C28H28O18/c1-41-14-4-8(2-3-12(14)44-28-22(36)18(32)20(34)24(46-28)26(39)40)13-7-11(30)16-10(29)5-9(6-15(16)43-13)42-27-21(35)17(31)19(33)23(45-27)25(37)38/h2-7,17-24,27-29,31-36H,1H3,(H,37,38)(H,39,40) |
| Smiles | COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O |
| Xlogp | -0.5 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C28H28O18 |
- 1. Outgoing r'ship
FOUND_INto/from Medicago Sativa (Plant) Rel Props:Source_db:fooddb_chem_all