Cyanidin 3-(4-acetylglucoside)
PubChem CID: 74976937
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| Compound Synonyms | Cyanidin 3-(4-acetylglucoside) |
|---|---|
| Topological Polar Surface Area | 187.0 |
| Hydrogen Bond Donor Count | 7.0 |
| Inchi Key | WCYSXTJZNKVDKY-UHFFFAOYSA-O |
| Rotatable Bond Count | 6.0 |
| Synonyms | Cyanidin 3-(4-acetylglucoside), Cyanidin 3-(4''-acetylglucoside) |
| Heavy Atom Count | 35.0 |
| Compound Name | Cyanidin 3-(4-acetylglucoside) |
| Description | Isolated from oranges. Cyanidin 3-(4-acetylglucoside) is found in sweet orange and citrus. |
| Exact Mass | 491.119 |
| Formal Charge | 1.0 |
| Monoisotopic Mass | 491.119 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 723.0 |
| Hydrogen Bond Acceptor Count | 11.0 |
| Molecular Weight | 491.4 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] acetate |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C23H22O12/c1-9(25)32-22-18(8-24)35-23(20(31)19(22)30)34-17-7-12-14(28)5-11(26)6-16(12)33-21(17)10-2-3-13(27)15(29)4-10/h2-7,18-20,22-24,30-31H,8H2,1H3,(H3-,26,27,28,29)/p+1 |
| Smiles | CC(=O)OC1C(OC(C(C1O)O)OC2=CC3=C(C=C(C=C3[O+]=C2C4=CC(=C(C=C4)O)O)O)O)CO |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C23H23O12+ |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all