2'',6''-Diacetylorientin
PubChem CID: 14681456
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| Compound Synonyms | 2'',6''-Diacetylorientin, CHEBI:192019, [5-acetyloxy-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-8-yl]-3,4-dihydroxyoxan-2-yl]methyl acetate |
|---|---|
| Topological Polar Surface Area | 210.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Inchi Key | IOPSQVHEVILLRN-UHFFFAOYSA-N |
| Rotatable Bond Count | 7.0 |
| Synonyms | 2'',6''-Diacetylorientin, Orientin 2'',6''-diacetate |
| Heavy Atom Count | 38.0 |
| Compound Name | 2'',6''-Diacetylorientin |
| Description | Isolated from Rumex acetosa (sorrel). 2'',6''-Diacetylorientin is found in herbs and spices and sorrel. |
| Exact Mass | 532.122 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 532.122 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 936.0 |
| Hydrogen Bond Acceptor Count | 13.0 |
| Molecular Weight | 532.4 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [5-acetyloxy-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-8-yl]-3,4-dihydroxyoxan-2-yl]methyl acetate |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C25H24O13/c1-9(26)35-8-18-21(33)22(34)25(36-10(2)27)24(38-18)20-15(31)6-14(30)19-16(32)7-17(37-23(19)20)11-3-4-12(28)13(29)5-11/h3-7,18,21-22,24-25,28-31,33-34H,8H2,1-2H3 |
| Smiles | CC(=O)OCC1C(C(C(C(O1)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC(=C(C=C4)O)O)O)O)OC(=O)C)O)O |
| Xlogp | 0.4 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C25H24O13 |
- 1. Outgoing r'ship
FOUND_INto/from Rumex Acetosa (Plant) Rel Props:Source_db:fooddb_chem_all