5,7-Dihydroxy-2-(4-Hydroxyphenyl)-6-[3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]-8-(3,4,5-Trihydroxyoxan-2-Yl)Chromen-4-One
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL1537012 | |
| PubChem: | 3550102 | |
| IUPAC: | 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-(3,4,5-trihydroxyoxan-2-yl)chromen-4-one | |
| Standard InChI: | InChI=1S/C26H28O14/c27-6-13-18(32)21(35)23(37)26(40-13)15-19(33)14-10(29)5-12(8-1-3-9(28)4-2-8)39-24(14)16(20(15)34)25-22(36)17(31)11(30)7-38-25/h1-5,11,13,17-18,21-23,25-28,30-37H,6-7H2 | |
| Standard InChI Key: | MMDUKUSNQNWVET-UHFFFAOYSA-N | |
| SMILES: | OCC1OC(C(C(C1O)O)O)c1c(O)c(C2OCC(C(C2O)O)O)c2c(c1O)c(=O)cc(o2)c1ccc(cc1)O | |
Molecular propeties
| ||
| AlogP: | -1.75 | |
|---|---|---|
| Hydrogen bonds acceptors: | 14 | |
| Hydrogen bonds donors: | 10 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 5 | |
| Molecular Weight: | 564.15 | |
| Topological polar surface area: | 247 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.423 | |
| Number of carbons: | 26 | |