Malvidin 3-alpha-L-galactoside
PubChem CID: 157010023
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| Compound Synonyms | Malvidin 3-alpha-L-galactoside |
|---|---|
| Topological Polar Surface Area | 150.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Inchi Key | ALKNIMHUPXLKRN-GCSUUFGQSA-O |
| Rotatable Bond Count | 6.0 |
| Synonyms | Malvidin 3-O-alpha-L-galactoside |
| Heavy Atom Count | 35.0 |
| Compound Name | Malvidin 3-alpha-L-galactoside |
| Description | Malvidin 3-alpha-l-galactoside is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Malvidin 3-alpha-l-galactoside can be found in highbush blueberry, which makes malvidin 3-alpha-l-galactoside a potential biomarker for the consumption of this food product. |
| Exact Mass | 487.16 |
| Formal Charge | 1.0 |
| Monoisotopic Mass | 487.16 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 708.0 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 487.5 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (2R,3S,4R,5S,6S)-2-[2-(3-ethenyl-5-methoxy-4-methylphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C25H26O10/c1-4-12-5-13(6-17(32-3)11(12)2)24-19(9-15-16(28)7-14(27)8-18(15)33-24)34-25-23(31)22(30)21(29)20(10-26)35-25/h4-9,20-23,25-26,29-31H,1,10H2,2-3H3,(H-,27,28)/p+1/t20-,21+,22+,23-,25-/m0/s1 |
| Smiles | CC1=C(C=C(C=C1OC)C2=[O+]C3=CC(=CC(=C3C=C2O[C@@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)CO)O)O)O)O)O)C=C |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C25H27O10+ |
- 1. Outgoing r'ship
FOUND_INto/from Vaccinium Corymbosum (Plant) Rel Props:Source_db:fooddb_chem_all