Petunidin 3-rhamnoside 5-glucoside
PubChem CID: 131752300
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| Compound Synonyms | Petunidin 3-rhamnoside 5-glucoside, Petunidin 3-rhamnoside-5-glucoside, Petunidin 3-O-rhamnoside 5-O-glucoside, Petunidin 3-O-a-L-rhamnopyranoside 5-O-b-D-glucopyranoside, Petunidin 3-O-alpha-L-rhamnopyranoside 5-O-beta-D-glucopyranoside |
|---|---|
| Topological Polar Surface Area | 249.0 |
| Hydrogen Bond Donor Count | 10.0 |
| Inchi Key | FMIONHNHIFPJRO-UHFFFAOYSA-O |
| Rotatable Bond Count | 7.0 |
| Synonyms | Petunidin 3-O-a-L-rhamnopyranoside 5-O-b-D-glucopyranoside, Petunidin 3-O-alpha-L-rhamnopyranoside 5-O-beta-D-glucopyranoside, Petunidin 3-O-rhamnoside 5-O-glucoside, Petunidin 3-rhamnoside-5-glucoside |
| Heavy Atom Count | 44.0 |
| Compound Name | Petunidin 3-rhamnoside 5-glucoside |
| Description | Isolated from the Leguminosae. Petunidin 3-rhamnoside 5-glucoside is found in pulses and common pea. |
| Exact Mass | 625.177 |
| Formal Charge | 1.0 |
| Monoisotopic Mass | 625.177 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 930.0 |
| Hydrogen Bond Acceptor Count | 15.0 |
| Molecular Weight | 625.6 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[2-(3,4-dihydroxy-5-methoxyphenyl)-7-hydroxy-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/C28H32O16/c1-9-19(32)22(35)24(37)27(40-9)43-17-7-12-14(41-26(17)10-3-13(31)20(33)16(4-10)39-2)5-11(30)6-15(12)42-28-25(38)23(36)21(34)18(8-29)44-28/h3-7,9,18-19,21-25,27-29,32,34-38H,8H2,1-2H3,(H2-,30,31,33)/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)O)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C28H33O16+ |
- 1. Outgoing r'ship
FOUND_INto/from Pisum Sativum (Plant) Rel Props:Source_db:fooddb_chem_all