7-(hexopyranosyloxy)-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-4-oxo-4H-1-benzopyran-3-yl 6-deoxyhexopyranoside
Chemical Structure Depiction of
7-(hexopyranosyloxy)-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-4-oxo-4H-1-benzopyran-3-yl 6-deoxyhexopyranoside
7-(hexopyranosyloxy)-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-4-oxo-4H-1-benzopyran-3-yl 6-deoxyhexopyranoside
Compound characteristics
| Compound ID: | Y041-5135 |
| Compound Name: | 7-(hexopyranosyloxy)-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-4-oxo-4H-1-benzopyran-3-yl 6-deoxyhexopyranoside |
| Molecular Weight: | 676.67 |
| Molecular Formula: | C33 H40 O15 |
| Smiles: | CC(C)=CCc1c(cc(c2C(C(=C(c3ccc(cc3)OC)Oc12)O[C@H]1[C@@H]([C@@H]([C@H]([C@H](C)O1)O)O)O)=O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.3998 |
| logD: | 1.3994 |
| logSw: | -2.3549 |
| Hydrogen bond acceptors count: | 16 |
| Hydrogen bond donors count: | 8 |
| Polar surface area: | 186.865 |
| InChI Key: | TZJALUIVHRYQQB-GGUYVARWSA-N |