6-beta-D-Glucopyranosyldiosmetin
PubChem CID: 14861262
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| Compound Synonyms | 6-beta-D-Glucopyranosyldiosmetin, 6-b-D-Glucopyranosyldiosmetin, CHEBI:191683, 6-beta-D-Glucopyranosyl-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one, 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one |
|---|---|
| Topological Polar Surface Area | 186.0 |
| Hydrogen Bond Donor Count | 7.0 |
| Inchi Key | ADVFPEKLSDNTRV-UHFFFAOYSA-N |
| Rotatable Bond Count | 4.0 |
| Synonyms | 4'-Methylisoorientin, 6-b-D-Glucopyranosyldiosmetin, 6-beta-D-Glucopyranosyl-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one, 6-beta-D-Glucopyranosyl-5,7,3'-trihydroxy-4'-methoxyflavone, 6-C-beta-D-Glucopyranosyldiosmetin, Diosmetin 6-C-beta-D-glucoside, Diosmetin 6-C-glucoside |
| Heavy Atom Count | 33.0 |
| Compound Name | 6-beta-D-Glucopyranosyldiosmetin |
| Description | Isolated from lemon peel (Citrus limon), not found in oranges |
| Exact Mass | 462.116 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 462.116 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 744.0 |
| Hydrogen Bond Acceptor Count | 11.0 |
| Molecular Weight | 462.4 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C22H22O11/c1-31-12-3-2-8(4-9(12)24)13-5-10(25)16-14(32-13)6-11(26)17(19(16)28)22-21(30)20(29)18(27)15(7-23)33-22/h2-6,15,18,20-24,26-30H,7H2,1H3 |
| Smiles | COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4C(C(C(C(O4)CO)O)O)O)O)O |
| Xlogp | 0.2 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C22H22O11 |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Limon (Plant) Rel Props:Source_db:fooddb_chem_all