5-Hydroxy-2-(3-Hydroxy-4-Methoxyphenyl)-7-[3,4,5-Trihydroxy-6-[(3,4,5-Trihydroxy-6-Methyloxan-2-Yl)Oxymethyl]Oxan-2-Yl]Oxy-2,3-Dihydrochromen-4-One
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL1535112 | |
| PubChem: | 3594 | |
| IUPAC: | 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one | |
| Standard InChI: | InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3 | |
| Standard InChI Key: | QUQPHWDTPGMPEX-UHFFFAOYSA-N | |
| SMILES: | COc1ccc(cc1O)C1CC(=O)c2c(O1)cc(cc2O)OC1OC(COC2OC(C)C(C(C2O)O)O)C(C(C1O)O)O | |
Molecular propeties
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| AlogP: | -1.16 | |
|---|---|---|
| Hydrogen bonds acceptors: | 15 | |
| Hydrogen bonds donors: | 8 | |
| Rotatable bonds: | 7 | |
| Number of rings: | 5 | |
| Molecular Weight: | 610.19 | |
| Topological polar surface area: | 234 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.536 | |
| Number of carbons: | 28 | |