Cyanidin 3-O-xylosyl-rutinoside
PubChem CID: 74976932
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| Compound Synonyms | Cyanidin 3-O-xylosyl-rutinoside, 2-((6-(2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl)oxy-3,4-dihydroxy-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl)methoxy)-6-methyloxane-3,4,5-triol, 2-[[6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4-dihydroxy-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol, Cyanidin 2G-(xylosylrutinoside), DTXSID101341523 |
|---|---|
| Topological Polar Surface Area | 299.0 |
| Hydrogen Bond Donor Count | 12.0 |
| Inchi Key | ZSWXIMXLLJRVFT-UHFFFAOYSA-O |
| Rotatable Bond Count | 8.0 |
| Synonyms | Cyanidin 2G-(xylosylrutinoside), Cyanidin 3-(2G-xylosylrutinoside), Cyanidin 3-O-xylosyl-rutinoside |
| Heavy Atom Count | 51.0 |
| Compound Name | Cyanidin 3-O-xylosyl-rutinoside |
| Description | Isolated from redcurrants, cherries and other plant subspecies Cyanidin 3-(2G-xylosylrutinoside) is found in many foods, some of which are fruits, redcurrant, sour cherry, and blackcurrant. |
| Exact Mass | 727.209 |
| Formal Charge | 1.0 |
| Monoisotopic Mass | 727.209 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1120.0 |
| Hydrogen Bond Acceptor Count | 18.0 |
| Molecular Weight | 727.6 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[[6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4-dihydroxy-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol |
| Total Atom Stereocenter Count | 14.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C32H38O19/c1-10-21(38)24(41)27(44)30(47-10)46-9-20-23(40)25(42)29(51-31-26(43)22(39)17(37)8-45-31)32(50-20)49-19-7-13-15(35)5-12(33)6-18(13)48-28(19)11-2-3-14(34)16(36)4-11/h2-7,10,17,20-27,29-32,37-44H,8-9H2,1H3,(H3-,33,34,35,36)/p+1 |
| Smiles | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC4=C(C=C(C=C4[O+]=C3C5=CC(=C(C=C5)O)O)O)O)OC6C(C(C(CO6)O)O)O)O)O)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C32H39O19+ |
- 1. Outgoing r'ship
FOUND_INto/from Prunus Cerasus (Plant) Rel Props:Source_db:fooddb_chem_all