Delphinidin 3-rutinoside 5-glucoside
PubChem CID: 74977036
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| Compound Synonyms | Delphinidin 3-rutinoside 5-glucoside |
|---|---|
| Topological Polar Surface Area | 340.0 |
| Hydrogen Bond Donor Count | 14.0 |
| Inchi Key | BMDKCVRDDZIEMR-UHFFFAOYSA-O |
| Rotatable Bond Count | 9.0 |
| Synonyms | Delphinidin 3-O-(6-O-malonyl-beta-D-glucoside), Delphinidin 3-rutinoside-5-glucoside, Delphinidin 5-glucoside 3-rutinoside |
| Heavy Atom Count | 54.0 |
| Compound Name | Delphinidin 3-rutinoside 5-glucoside |
| Description | Delphinidin 3-rutinoside 5-glucoside is a member of the class of compounds known as anthocyanidin-5-o-glycosides. Anthocyanidin-5-o-glycosides are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C5-position. Delphinidin 3-rutinoside 5-glucoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Delphinidin 3-rutinoside 5-glucoside can be found in eggplant, which makes delphinidin 3-rutinoside 5-glucoside a potential biomarker for the consumption of this food product. |
| Exact Mass | 773.214 |
| Formal Charge | 1.0 |
| Monoisotopic Mass | 773.214 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1190.0 |
| Hydrogen Bond Acceptor Count | 20.0 |
| Molecular Weight | 773.7 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methyl-6-[[3,4,5-trihydroxy-6-[7-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol |
| Total Atom Stereocenter Count | 15.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C33H40O21/c1-9-20(38)24(42)27(45)31(49-9)48-8-19-23(41)26(44)29(47)33(54-19)52-17-6-12-15(50-30(17)10-2-13(36)21(39)14(37)3-10)4-11(35)5-16(12)51-32-28(46)25(43)22(40)18(7-34)53-32/h2-6,9,18-20,22-29,31-34,38,40-47H,7-8H2,1H3,(H3-,35,36,37,39)/p+1 |
| Smiles | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C([O+]=C4C=C(C=C(C4=C3)OC5C(C(C(C(O5)CO)O)O)O)O)C6=CC(=C(C(=C6)O)O)O)O)O)O)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C33H41O21+ |
- 1. Outgoing r'ship
FOUND_INto/from Solanum Melongena (Plant) Rel Props:Source_db:fooddb_chem_all