(3S)-3,5,7-Trihydroxy-2-[(2S,3S)-3-(4-Hydroxy-3-Methoxyphenyl)-2-(Hydroxymethyl)-2,3-Dihydro-1,4-Benzodioxin-6-Yl]-2,3-Dihydrochromen-4-One
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL245121 | |
| PubChem: | 16211710 | |
| IUPAC: | (3S)-3,5,7-trihydroxy-2-[(2S,3S)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one | |
| Standard InChI: | InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20-,23+,24-,25?/m0/s1 | |
| Standard InChI Key: | SEBFKMXJBCUCAI-ILJKEPSESA-N | |
| SMILES: | OC[C@@H]1Oc2ccc(cc2O[C@H]1c1ccc(c(c1)OC)O)C1Oc2cc(O)cc(c2C(=O)[C@H]1O)O | |
Molecular propeties
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| AlogP: | 2.36 | |
|---|---|---|
| Hydrogen bonds acceptors: | 10 | |
| Hydrogen bonds donors: | 5 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 5 | |
| Molecular Weight: | 482.12 | |
| Topological polar surface area: | 155 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.24 | |
| Number of carbons: | 25 | |