(3Z)-9-hydroxy-4-(4-hydroxyphenyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydro-1-benzoxocin-2-one
Formula:C23H24O10
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(3Z)-9-hydroxy-4-(4-hydroxyphenyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydro-1-benzoxocin-2-one is not a drug-like molecule.
| MolName | (3Z)-9-hydroxy-4-(4-hydroxyphenyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydro-1-benzoxocin-2-one |
| MolecularFormula | C23H24O10 |
| Smiles | OCC(C(C(C1O)O)O)OC1OC(Cc(ccc(O)c1)c1O1)/C(/c(cc2)ccc2O)=C\C1=O |
| InChI | InChI=1S/C23H24O10/c24-10-18-20(28)21(29)22(30)23(33-18)32-17-7-12-3-6-14(26)8-16(12)31-19(27)9-15(17)11-1-4-13(25)5-2-11/h1-6,8-9,17-18,20-26,28-30H,7,10H2 |
| InChIK | YXYGRLYJLZUZKF-UHFFFAOYSA-N |
| TotalMolweight | 460.434 |
| Molweight | 460.434 |
| MonoisotopicMass | 460.13695 |
| CLogP | 0.3261 |
| CLogS | -2.213 |
| H Acceptors | 10 |
| H Donors | 6 |
| TotalSurfaceArea | 319.1 |
| Relative PSA | 0.3812 |
| PolarSurfaceArea | 166.14 |
| Druglikeness | -5.5368 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.39394 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| StereoCenters | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 17 |
| Symmetricatoms | 2 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - (3Z)-9-hydroxy-4-(4-hydroxyphenyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydro-1-benzoxocin-2-one | 2 - (3Z)-9-hydroxy-4-(4-hydroxyphenyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydro-1-benzoxocin-2-one
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