Glycoside
GD083701
Name:
NoneFormula:
C12H13O7N2F2BrSmiles:
O=C(Nc1ncc(Br)cc1OC(F)F)C(=O)[C@H](O)[C@@H](O)[C@H](O)COAglycone:
Nc1ncc(Br)cc1OC(F)FSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | -0.97 | Num_rotatable_bonds: | 8 |
| MolWt: | 415.14 | Num_heavy_atoms: | 24 |
| TPSA: | 149.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD37311
Formula: C6H5ON2F2Br
Smiles:
Nc1ncc(Br)cc1OC(F)F| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 2.03 | Num_rotatable_bonds: | 2 |
| MolWt: | 239.02 | Num_heavy_atoms: | 12 |
| TPSA: | 48.14 | NumAromaticRings: | 1 |
