hex-2-ulofuranosyl 6-O-{3-[1,3-dimethyl-2-{[(2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}-6-(propan-2-ylidene)cyclohexyl]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-(propan-2-ylidene)cyclohexyl]propanoyl}hexopyranoside
hex-2-ulofuranosyl 6-O-{3-[1,3-dimethyl-2-{[(2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}-6-(propan-2-ylidene)cyclohexyl]propanoyl}hexopyranoside
Compound characteristics
| Compound ID: | N014-0003 |
| Compound Name: | hex-2-ulofuranosyl 6-O-{3-[1,3-dimethyl-2-{[(2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}-6-(propan-2-ylidene)cyclohexyl]propanoyl}hexopyranoside |
| Molecular Weight: | 722.79 |
| Molecular Formula: | C36 H50 O15 |
| Smiles: | CC1CCC(=C(C)C)C(C)(CCC(=O)OCC2C(C(C(C(O2)OC2(CO)C(C(C(CO)O2)O)O)O)O)O)C1COc1ccc2C=CC(=O)Oc2c1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.6325 |
| logD: | 1.6324 |
| logSw: | -3.0842 |
| Hydrogen bond acceptors count: | 17 |
| Hydrogen bond donors count: | 7 |
| Polar surface area: | 184.959 |
| InChI Key: | JTGXEXCMXHUMBA-UHFFFAOYSA-N |