Cyanidin 3-O-alpha-L-galactoside
PubChem CID: 92448832
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| Compound Synonyms | Cyanidin 3-O-alpha-L-galactoside |
|---|---|
| Topological Polar Surface Area | 181.0 |
| Hydrogen Bond Donor Count | 8.0 |
| Heavy Atom Count | 32.0 |
| Description | Cyanidin 3-o-alpha-l-galactoside is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Cyanidin 3-o-alpha-l-galactoside can be found in highbush blueberry, which makes cyanidin 3-o-alpha-l-galactoside a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 623.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (2S,3S,4R,5S,6S)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| Nih Violation | True |
| Class | Flavonoids |
| Superclass | Phenylpropanoids and polyketides |
| Is Pains | True |
| Subclass | Flavonoid glycosides |
| Molecular Formula | C21H21O11+ |
| Inchi Key | RKWHWFONKJEUEF-KWLWEVDOSA-O |
| Rotatable Bond Count | 4.0 |
| Synonyms | Cyanidin 3-O-a-L-galactoside, Cyanidin 3-O-α-L-galactoside |
| Compound Name | Cyanidin 3-O-alpha-L-galactoside |
| Kingdom | Organic compounds |
| Exact Mass | 449.108 |
| Formal Charge | 1.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 449.108 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 449.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Inchi | InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1/t16-,17+,18+,19-,21+/m0/s1 |
| Smiles | C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2O[C@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)CO)O)O)O)O)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Flavonoid-3-O-glycosides |
- 1. Outgoing r'ship
FOUND_INto/from Vaccinium Corymbosum (Plant) Rel Props:Source_db:fooddb_chem_all