7-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-9-yl 2,3,4,6-tetra-O-acetylhexopyranoside
Chemical Structure Depiction of
7-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-9-yl 2,3,4,6-tetra-O-acetylhexopyranoside
7-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-9-yl 2,3,4,6-tetra-O-acetylhexopyranoside
Compound characteristics
| Compound ID: | Y040-7902 |
| Compound Name: | 7-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-9-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](Oc2cc(C)cc3c2C2CCCC=2C(=O)O3)O1)OC(C)=O)OC(C)=O)OC(C)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.9969 |
| logD: | 2.9969 |
| logSw: | -2.925 |
| Hydrogen bond acceptors count: | 17 |
| Polar surface area: | 119.432 |
| InChI Key: | BRCZNBQDTXWHFH-IYBBNNOUSA-N |