3,4,4'-Tri-O-methylellagic acid
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL2334354 | |
| PubChem: | 11674590 | |
| IUPAC: | 7-hydroxy-6,13,14-trimethoxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione | |
| Standard InChI: | InChI=1S/C17H12O8/c1-21-8-4-6-10-11-7(16(19)24-14(10)12(8)18)5-9(22-2)13(23-3)15(11)25-17(6)20/h4-5,18H,1-3H3 | |
| Standard InChI Key: | NDXSDWFOYZXARW-UHFFFAOYSA-N | |
| SMILES: | COc1cc2c(=O)oc3c4c2c(c1OC)oc(=O)c4cc(c3O)OC | |
Molecular propeties
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| AlogP: | 2.22 | |
|---|---|---|
| Hydrogen bonds acceptors: | 8 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 4 | |
| Molecular Weight: | 344.05 | |
| Topological polar surface area: | 101 | |
| Number of aromatic rings: | 4 | |
| Fsp3: | 0.176 | |
| Number of carbons: | 17 | |