3-[(2S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]Oxy-2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxychromen-4-One
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL1590676 | |
| PubChem: | 44144273 | |
| IUPAC: | 3-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one | |
| Standard InChI: | InChI=1S/C20H18O11/c21-6-13-15(26)17(28)20(30-13)31-19-16(27)14-11(25)4-8(22)5-12(14)29-18(19)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,20-26,28H,6H2/t13-,15?,17?,20+/m1/s1 | |
| Standard InChI Key: | BDCDNTVZSILEOY-MRTZERJCSA-N | |
| SMILES: | OC[C@H]1O[C@H](C(C1O)O)Oc1c(oc2c(c1=O)c(O)cc(c2)O)c1ccc(c(c1)O)O | |
Molecular propeties
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| AlogP: | 0.1 | |
|---|---|---|
| Hydrogen bonds acceptors: | 11 | |
| Hydrogen bonds donors: | 7 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 4 | |
| Molecular Weight: | 434.08 | |
| Topological polar surface area: | 186 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.25 | |
| Number of carbons: | 20 | |