Byakangelicol
Representations & DB's id
| ||
| ChEBI: | CHEBI:80800 | |
|---|---|---|
| ChEMBL: | CHEMBL1934196 | |
| PubChem: | 3055167 | |
| IUPAC: | 9-[[(2R)-3,3-dimethyloxiran-2-yl]methoxy]-4-methoxyfuro[3,2-g]chromen-7-one | |
| Standard InChI: | InChI=1S/C17H16O6/c1-17(2)11(23-17)8-21-16-14-10(6-7-20-14)13(19-3)9-4-5-12(18)22-15(9)16/h4-7,11H,8H2,1-3H3/t11-/m1/s1 | |
| Standard InChI Key: | ORBITTMJKIGFNH-LLVKDONJSA-N | |
| SMILES: | COc1c2ccoc2c(c2c1ccc(=O)o2)OC[C@H]1OC1(C)C | |
Molecular propeties
| ||
| AlogP: | 3.1 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 4 | |
| Molecular Weight: | 316.09 | |
| Topological polar surface area: | 70.4 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.353 | |
| Number of carbons: | 17 | |