6-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl 2,3,4,6-tetra-O-acetylhexopyranoside
Chemical Structure Depiction of
6-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl 2,3,4,6-tetra-O-acetylhexopyranoside
6-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl 2,3,4,6-tetra-O-acetylhexopyranoside
Compound characteristics
| Compound ID: | Y040-7898 |
| Compound Name: | 6-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl 2,3,4,6-tetra-O-acetylhexopyranoside |
| Molecular Weight: | 546.53 |
| Molecular Formula: | C27 H30 O12 |
| Smiles: | CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](Oc2ccc3C4CCCC=4C(=O)Oc3c2C)O1)OC(C)=O)OC(C)=O)OC(C)=O |
| Stereo: | RELATIVE |
| logP: | 2.7972 |
| logD: | 2.7972 |
| logSw: | -3.099 |
| Hydrogen bond acceptors count: | 17 |
| Polar surface area: | 119.116 |
| InChI Key: | LIVSBWIOFFHOTO-MXEJUDAGSA-N |