2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one
Formula:C26H28O16
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one is not a drug-like molecule.
| MolName | 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one |
| MolecularFormula | C26H28O16 |
| Smiles | OC(COC(C1O)OCC(C(C(C2O)O)O)OC2Oc(cc2O)cc(OC(c(cc3)cc(O)c3O)=C3O)c2C3=O)C1O |
| InChI | InChI=1S/C26H28O16/c27-10-2-1-8(3-11(10)28)24-21(35)19(33)16-12(29)4-9(5-14(16)41-24)40-26-23(37)20(34)18(32)15(42-26)7-39-25-22(36)17(31)13(30)6-38-25/h1-5,13,15,17-18,20,22-23,25-32,34-37H,6-7H2 |
| InChIK | CKTYBTRYMOEPOK-UHFFFAOYSA-N |
| TotalMolweight | 596.492 |
| Molweight | 596.492 |
| MonoisotopicMass | 596.13774 |
| CLogP | -1.7342 |
| CLogS | -2.206 |
| H Acceptors | 16 |
| H Donors | 10 |
| TotalSurfaceArea | 386.71 |
| Relative PSA | 0.50177 |
| PolarSurfaceArea | 265.52 |
| Druglikeness | -4.0651 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 42 |
| NonCHAtoms | 16 |
| Electronegative Atoms | 16 |
| StereoCenters | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 26 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one | 2 - 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off