4-oxo-3-{4-[(2,3,4,6-tetra-O-acetylhexopyranosyl)oxy]phenyl}-4H-1-benzopyran-5,7-diyl diacetate
Chemical Structure Depiction of
4-oxo-3-{4-[(2,3,4,6-tetra-O-acetylhexopyranosyl)oxy]phenyl}-4H-1-benzopyran-5,7-diyl diacetate
4-oxo-3-{4-[(2,3,4,6-tetra-O-acetylhexopyranosyl)oxy]phenyl}-4H-1-benzopyran-5,7-diyl diacetate
Compound characteristics
| Compound ID: | 0831-0931 |
| Compound Name: | 4-oxo-3-{4-[(2,3,4,6-tetra-O-acetylhexopyranosyl)oxy]phenyl}-4H-1-benzopyran-5,7-diyl diacetate |
| Molecular Weight: | 684.61 |
| Molecular Formula: | C33 H32 O16 |
| Smiles: | [H]C1(COC(C)=O)C([H])(C([H])(C([H])(C([H])(Oc2ccc(cc2)C2=COc3cc(cc(c3C2=O)OC(C)=O)OC(C)=O)O1)OC(C)=O)OC(C)=O)OC(C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.7931 |
| logD: | 1.7931 |
| logSw: | -2.2378 |
| Hydrogen bond acceptors count: | 23 |
| Polar surface area: | 160.347 |
| InChI Key: | QINULWUIRTUVTD-UHFFFAOYSA-N |