Peonidin 3-rhamnoside 5-glucoside
PubChem CID: 131752295
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| Compound Synonyms | Peonidin 3-rhamnoside 5-glucoside, CHEBI:180729, Peonidin 3-rhamnoside-5-glucoside, Peonidin 5-glucoside 3-rhamnoside, 2-[7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxy-6-methyloxane-3,4,5-triol |
|---|---|
| Topological Polar Surface Area | 229.0 |
| Hydrogen Bond Donor Count | 9.0 |
| Inchi Key | LYMZDGGLEMJUEK-UHFFFAOYSA-O |
| Rotatable Bond Count | 7.0 |
| Synonyms | Peonidin 3-rhamnoside-5-glucoside, Peonidin 5-glucoside 3-rhamnoside |
| Heavy Atom Count | 43.0 |
| Compound Name | Peonidin 3-rhamnoside 5-glucoside |
| Description | Isolated from peas. Peonidin 3-rhamnoside 5-glucoside is found in pulses and common pea. |
| Exact Mass | 609.182 |
| Formal Charge | 1.0 |
| Monoisotopic Mass | 609.182 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 898.0 |
| Hydrogen Bond Acceptor Count | 14.0 |
| Molecular Weight | 609.6 |
| 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-methoxyphenyl)-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/C28H32O15/c1-10-20(32)22(34)24(36)27(39-10)42-18-8-13-15(40-26(18)11-3-4-14(31)17(5-11)38-2)6-12(30)7-16(13)41-28-25(37)23(35)21(33)19(9-29)43-28/h3-8,10,19-25,27-29,32-37H,9H2,1-2H3,(H-,30,31)/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)O)OC)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C28H33O15+ |
- 1. Outgoing r'ship
FOUND_INto/from Pisum Sativum (Plant) Rel Props:Source_db:fooddb_chem_all