Malvidin 3-rhamnoside 5-glucoside
PubChem CID: 157010088
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| Compound Synonyms | Malvidin 3-rhamnoside 5-glucoside |
|---|---|
| Topological Polar Surface Area | 238.0 |
| Hydrogen Bond Donor Count | 9.0 |
| Inchi Key | GNUHZLJAPZCZJW-UHFFFAOYSA-O |
| Rotatable Bond Count | 8.0 |
| Synonyms | Malvidin 3-rhamnoside-5-glucoside, Malvidin 5-glucoside 3-rhamnoside |
| Heavy Atom Count | 45.0 |
| Compound Name | Malvidin 3-rhamnoside 5-glucoside |
| Description | Malvidin 3-rhamnoside 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. Malvidin 3-rhamnoside 5-glucoside is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Malvidin 3-rhamnoside 5-glucoside can be found in common pea, which makes malvidin 3-rhamnoside 5-glucoside a potential biomarker for the consumption of this food product. |
| Exact Mass | 639.193 |
| Formal Charge | 1.0 |
| Monoisotopic Mass | 639.193 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 932.0 |
| Hydrogen Bond Acceptor Count | 15.0 |
| Molecular Weight | 639.6 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxy-6-methyloxane-3,4,5-triol |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C29H34O16/c1-10-20(32)23(35)25(37)28(41-10)44-18-8-13-14(42-27(18)11-4-16(39-2)21(33)17(5-11)40-3)6-12(31)7-15(13)43-29-26(38)24(36)22(34)19(9-30)45-29/h4-8,10,19-20,22-26,28-30,32,34-38H,9H2,1-3H3,(H-,31,33)/p+1 |
| Smiles | CC1C(C(C(C(O1)OC2=C([O+]=C3C=C(C=C(C3=C2)OC4C(C(C(C(O4)CO)O)O)O)O)C5=CC(=C(C(=C5)OC)O)OC)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C29H35O16+ |
- 1. Outgoing r'ship
FOUND_INto/from Pisum Sativum (Plant) Rel Props:Source_db:fooddb_chem_all