(2R,3S,4S,10Bs)-3,4,8,10-Tetrahydroxy-2-(Hydroxymethyl)-9-Methoxy-3,4,4A,10B-Tetrahydro-2H-Pyrano[3,2-C]Isochromen-6-One
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL1512567 | |
| PubChem: | 24982180 | |
| IUPAC: | (2R,3S,4S,10bS)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one | |
| Standard InChI: | InChI=1S/C14H16O9/c1-21-11-5(16)2-4-7(9(11)18)12-13(23-14(4)20)10(19)8(17)6(3-15)22-12/h2,6,8,10,12-13,15-19H,3H2,1H3/t6-,8-,10+,12+,13?/m1/s1 | |
| Standard InChI Key: | YWJXCIXBAKGUKZ-KRGNRWPNSA-N | |
| SMILES: | OC[C@H]1O[C@@H]2C([C@H]([C@@H]1O)O)OC(=O)c1c2c(O)c(c(c1)O)OC | |
Molecular propeties
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| AlogP: | -1.2 | |
|---|---|---|
| Hydrogen bonds acceptors: | 9 | |
| Hydrogen bonds donors: | 5 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 3 | |
| Molecular Weight: | 328.08 | |
| Topological polar surface area: | 146 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.5 | |
| Number of carbons: | 14 | |