Awobannin
PubChem CID: 131752269
Connections displayed (default: 10).
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| Compound Synonyms | Awobannin |
|---|---|
| Topological Polar Surface Area | 307.0 |
| Hydrogen Bond Donor Count | 12.0 |
| Inchi Key | HXWHJZIJSNBCJX-UHFFFAOYSA-O |
| Rotatable Bond Count | 11.0 |
| Synonyms | Awobanin, Awobannin, Delphinidin 3-(6''-E-p-coumaroylglucoside) 5-glucoside, Delphinidin-3-(6-O-P-coumarylglucoside)-5-glucoside, Malonylawobanin |
| Heavy Atom Count | 55.0 |
| Compound Name | Awobannin |
| Description | Isolated from grapes. Delphinidin 3-(6''-E-p-coumaroylglucoside) 5-glucoside is found in hyssop, fruits, and common grape. |
| Exact Mass | 773.193 |
| Formal Charge | 1.0 |
| Monoisotopic Mass | 773.193 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1260.0 |
| Hydrogen Bond Acceptor Count | 18.0 |
| Molecular Weight | 773.7 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [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]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 1.0 |
| Inchi | InChI=1S/C36H36O19/c37-12-24-28(44)30(46)32(48)35(54-24)52-22-10-17(39)9-21-18(22)11-23(34(51-21)15-7-19(40)27(43)20(41)8-15)53-36-33(49)31(47)29(45)25(55-36)13-50-26(42)6-3-14-1-4-16(38)5-2-14/h1-11,24-25,28-33,35-37,44-49H,12-13H2,(H4-,38,39,40,41,42,43)/p+1 |
| Smiles | C1=CC(=CC=C1/C=C/C(=O)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 |
| Defined Bond Stereocenter Count | 1.0 |
| Molecular Formula | C36H37O19+ |
- 1. Outgoing r'ship
FOUND_INto/from Hyssopus Officinalis (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:fooddb_chem_all