Glycoside
GD038839
Name:
2,4-dinitrophenyl-2-deoxy-2-fluoro-beta-d-cellobiosideFormula:
C18H23O14N2FSmiles:
O=[N+]([O-])c1ccc(O[C@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)[C@H](O)[C@@H]2F)c([N+](=O)[O-])c1Aglycone:
O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(F)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | -2.52 | Num_rotatable_bonds: | 8 |
| MolWt: | 510.38 | Num_heavy_atoms: | 35 |
| TPSA: | 244.58 | NumAromaticRings: | 1 |
Unique Aglycone
AD09479
Formula: C6H4O5N2
Smiles:
O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1| HBA: | 7 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 2 |
| MolWt: | 184.11 | Num_heavy_atoms: | 13 |
| TPSA: | 106.51 | NumAromaticRings: | 1 |
