Pelargonidin 3-rhamnoside 5-glucoside
PubChem CID: 74976917
Connections displayed (default: 10).
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| Compound Synonyms | Pelargonidin 3-rhamnoside 5-glucoside, Pelargonidin 5-glucoside 3-rhamnoside |
|---|---|
| Topological Polar Surface Area | 220.0 |
| Hydrogen Bond Donor Count | 9.0 |
| Inchi Key | MIRNSFCHJINZJP-UHFFFAOYSA-O |
| Rotatable Bond Count | 6.0 |
| Synonyms | Pelargonidin 3-rhamnoside-5-glucoside, Pelargonidin 5-glucoside 3-rhamnoside |
| Heavy Atom Count | 41.0 |
| Compound Name | Pelargonidin 3-rhamnoside 5-glucoside |
| Description | Isolated from Pisum subspecies Pelargonidin 3-rhamnoside 5-glucoside is found in pulses and common pea. |
| Exact Mass | 579.171 |
| Formal Charge | 1.0 |
| Monoisotopic Mass | 579.171 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 843.0 |
| Hydrogen Bond Acceptor Count | 13.0 |
| Molecular Weight | 579.5 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[7-hydroxy-2-(4-hydroxyphenyl)-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/C27H30O14/c1-10-19(31)21(33)23(35)26(37-10)40-17-8-14-15(38-25(17)11-2-4-12(29)5-3-11)6-13(30)7-16(14)39-27-24(36)22(34)20(32)18(9-28)41-27/h2-8,10,18-24,26-28,31-36H,9H2,1H3,(H-,29,30)/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)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C27H31O14+ |
- 1. Outgoing r'ship
FOUND_INto/from Pisum Sativum (Plant) Rel Props:Source_db:fooddb_chem_all