(+)-Yangambin
Representations & DB's id
| ||
| ChEBI: | CHEBI:10088 | |
|---|---|---|
| ChEMBL: | CHEMBL454592 | |
| PubChem: | 443028 | |
| IUPAC: | (3S,3aR,6S,6aR)-3,6-bis(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan | |
| Standard InChI: | InChI=1S/C24H30O8/c1-25-17-7-13(8-18(26-2)23(17)29-5)21-15-11-32-22(16(15)12-31-21)14-9-19(27-3)24(30-6)20(10-14)28-4/h7-10,15-16,21-22H,11-12H2,1-6H3/t15-,16-,21+,22+/m0/s1 | |
| Standard InChI Key: | HRLFUIXSXUASEX-RZTYQLBFSA-N | |
| SMILES: | COc1cc(cc(c1OC)OC)[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1cc(OC)c(c(c1)OC)OC | |
Molecular propeties
| ||
| AlogP: | 3.81 | |
|---|---|---|
| Hydrogen bonds acceptors: | 8 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 8 | |
| Number of rings: | 4 | |
| Molecular Weight: | 446.19 | |
| Topological polar surface area: | 73.8 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.5 | |
| Number of carbons: | 24 | |