(2R,3S)-2-(3,4-Dihydroxyphenyl)-3,5,7-Trihydroxy-2,3-Dihydrochromen-4-One
Representations & DB's id
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| ChEBI: | CHEBI:75747 | |
|---|---|---|
| ChEMBL: | CHEMBL221328 | |
| PubChem: | 712318 | |
| IUPAC: | (2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one | |
| Standard InChI: | InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15-/m1/s1 | |
| Standard InChI Key: | CXQWRCVTCMQVQX-HUUCEWRRSA-N | |
| SMILES: | Oc1cc2O[C@H](c3ccc(c(c3)O)O)[C@@H](C(=O)c2c(c1)O)O | |
Molecular propeties
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| AlogP: | 1.19 | |
|---|---|---|
| Hydrogen bonds acceptors: | 7 | |
| Hydrogen bonds donors: | 5 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 3 | |
| Molecular Weight: | 304.06 | |
| Topological polar surface area: | 127 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.133 | |
| Number of carbons: | 15 | |