7-[3-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
Formula:C26H28O14
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
7-[3-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one is not a drug-like molecule.
| MolName | 7-[3-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one |
| MolecularFormula | C26H28O14 |
| Smiles | OCC(C(C(C1OC(C2O)OCC2(CO)O)O)O)OC1Oc(cc1O)cc(OC(c(cc2)ccc2O)=C2)c1C2=O |
| InChI | InChI=1S/C26H28O14/c27-8-18-20(32)21(33)22(40-25-23(34)26(35,9-28)10-36-25)24(39-18)37-13-5-14(30)19-15(31)7-16(38-17(19)6-13)11-1-3-12(29)4-2-11/h1-7,18,20-25,27-30,32-35H,8-10H2 |
| InChIK | NTDLXWMIWOECHG-UHFFFAOYSA-N |
| TotalMolweight | 564.494 |
| Molweight | 564.494 |
| MonoisotopicMass | 564.14791 |
| CLogP | -1.0073 |
| CLogS | -2.302 |
| H Acceptors | 14 |
| H Donors | 8 |
| TotalSurfaceArea | 374.97 |
| Relative PSA | 0.44761 |
| PolarSurfaceArea | 225.06 |
| Druglikeness | 0.34498 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.475 |
| Fragments | 1 |
| Non HAtoms | 40 |
| NonCHAtoms | 14 |
| Electronegative Atoms | 14 |
| StereoCenters | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 24 |
| Symmetricatoms | 2 |
| StereoCon | unknown chirality |
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1 - 7-[3-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one | 2 - 7-[3-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
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