hex-2-ulofuranosyl 6-O-{3-[1,3-dimethyl-2-{[(2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}-6-(prop-1-en-2-yl)cyclohex-3-en-1-yl]propanoyl}hexopyranoside
Chemical Structure Depiction of
hex-2-ulofuranosyl 6-O-{3-[1,3-dimethyl-2-{[(2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}-6-(prop-1-en-2-yl)cyclohex-3-en-1-yl]propanoyl}hexopyranoside
hex-2-ulofuranosyl 6-O-{3-[1,3-dimethyl-2-{[(2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}-6-(prop-1-en-2-yl)cyclohex-3-en-1-yl]propanoyl}hexopyranoside
Compound characteristics
| Compound ID: | N014-0006 |
| Compound Name: | hex-2-ulofuranosyl 6-O-{3-[1,3-dimethyl-2-{[(2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}-6-(prop-1-en-2-yl)cyclohex-3-en-1-yl]propanoyl}hexopyranoside |
| Molecular Weight: | 720.77 |
| Molecular Formula: | C36 H48 O15 |
| Smiles: | CC(=C)C1CC=C(C)C(COc2ccc3C=CC(=O)Oc3c2)C1(C)CCC(=O)OCC1C(C(C(C(O1)OC1(CO)C(C(C(CO)O1)O)O)O)O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.1918 |
| logD: | 2.1918 |
| logSw: | -2.8095 |
| Hydrogen bond acceptors count: | 17 |
| Hydrogen bond donors count: | 7 |
| Polar surface area: | 184.959 |
| InChI Key: | DHWWEECGNRQBKD-UHFFFAOYSA-N |