BDBM36272 6-O-(4-hydroxybenzoyl)-beta-cyclodextrin
SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](COC(=O)c7ccc(O)cc7)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@@H]8[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O
InChI Key: InChIKey=KTONVYTVQCVPMQ-DBKPRUCDSA-N
Data: 4 ITC
Cell (A) | Syringe (B) | Cell Links | Syringe Links | Cell + Syr Links | ΔG° kcal/mole | -TΔS° kcal/mole | ΔH° kcal/mole | log K | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|
BDBM36272 | BDBM36263 | PC cid PC sid | CHEBI KEGG MMDB PC cid PC sid PDB | -5.82 | -2.60 | -3.22 | 4.27 | 7.20 | 25 | |
Nankai University | J Org Chem 69: 173-80 (2004) | |||||||||
BDBM36272 | BDBM36264 | PC cid PC sid | CHEBI DrugBank KEGG MMDB PC cid PC sid | -5.68 | -1.88 | -3.80 | 4.16 | 7.20 | 25 | |
Nankai University | J Org Chem 69: 173-80 (2004) | |||||||||
BDBM36272 | BDBM36265 | PC cid PC sid | CHEBI KEGG PC cid PC sid | -6.71 | -0.919 | -5.79 | 4.92 | 7.20 | 25 | |
Nankai University | J Org Chem 69: 173-80 (2004) | |||||||||
BDBM36272 | BDBM36266 | PC cid PC sid | CHEBI KEGG PC cid PC sid | -6.77 | -1.41 | -5.36 | 4.96 | 7.20 | 25 | |
Nankai University | J Org Chem 69: 173-80 (2004) |