Cyanidin 3-O-(2-xylosyl-6'-glucosyl-galactoside)'
PubChem CID: 157009768
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| Compound Synonyms | Cyanidin 3-O-(2-xylosyl-6'-glucosyl-galactoside)' |
|---|---|
| Topological Polar Surface Area | 319.0 |
| Hydrogen Bond Donor Count | 13.0 |
| Inchi Key | NAGIWHJSMHJSTH-DYOFAWRSSA-O |
| Rotatable Bond Count | 10.0 |
| Synonyms | Cyanidin 3-glucosyl-(1->6)-[xylosyl-(1->2)-galactoside] |
| Heavy Atom Count | 52.0 |
| Compound Name | Cyanidin 3-O-(2-xylosyl-6'-glucosyl-galactoside)' |
| Description | Cyanidin 3-o-(2"-xylosyl-6"-glucosyl-galactoside) is a member of the class of compounds known as anthocyanidin-3-o-glycosides. Anthocyanidin-3-o-glycosides are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C3-position. Cyanidin 3-o-(2"-xylosyl-6"-glucosyl-galactoside) is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Cyanidin 3-o-(2"-xylosyl-6"-glucosyl-galactoside) can be found in carrot and wild carrot, which makes cyanidin 3-o-(2"-xylosyl-6"-glucosyl-galactoside) a potential biomarker for the consumption of these food products. |
| Exact Mass | 743.203 |
| Formal Charge | 1.0 |
| Monoisotopic Mass | 743.203 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1140.0 |
| Hydrogen Bond Acceptor Count | 19.0 |
| Molecular Weight | 743.6 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 13.0 |
| Iupac Name | (2R,3R,4S,5S,6R)-2-[[(2R,3R,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4-dihydroxy-5-[[(3R,4R,5R)-3,4,5-trihydroxyoxolan-2-yl]methoxy]oxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| Total Atom Stereocenter Count | 14.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C32H38O20/c33-7-18-21(38)24(41)27(44)31(51-18)47-9-20-22(39)25(42)29(46-8-19-23(40)26(43)30(45)49-19)32(52-20)50-17-6-12-14(36)4-11(34)5-16(12)48-28(17)10-1-2-13(35)15(37)3-10/h1-6,18-27,29-33,38-45H,7-9H2,(H3-,34,35,36,37)/p+1/t18-,19?,20-,21-,22+,23+,24+,25+,26-,27-,29-,30-,31-,32-/m1/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[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)OCC6[C@@H]([C@H]([C@@H](O6)O)O)O)O)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C32H39O20+ |
- 1. Outgoing r'ship
FOUND_INto/from Daucus Carota (Plant) Rel Props:Source_db:fooddb_chem_all