Methylconiferin
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL3236506 | |
| PubChem: | 5319561 | |
| IUPAC: | (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[2-methoxy-4-[(E)-3-methoxyprop-1-enyl]phenoxy]oxane-3,4,5-triol | |
| Standard InChI: | InChI=1S/C17H24O8/c1-22-7-3-4-10-5-6-11(12(8-10)23-2)24-17-16(21)15(20)14(19)13(9-18)25-17/h3-6,8,13-21H,7,9H2,1-2H3/b4-3+/t13-,14-,15+,16-,17-/m1/s1 | |
| Standard InChI Key: | SCOBOZBTFMWPOO-AAHFWSMJSA-N | |
| SMILES: | COC/C=C/c1ccc(c(c1)OC)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O | |
Molecular propeties
| ||
| AlogP: | -0.47 | |
|---|---|---|
| Hydrogen bonds acceptors: | 8 | |
| Hydrogen bonds donors: | 4 | |
| Rotatable bonds: | 7 | |
| Number of rings: | 2 | |
| Molecular Weight: | 356.15 | |
| Topological polar surface area: | 118 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.529 | |
| Number of carbons: | 17 | |