Glycoside
GD091202
Name:
NoneFormula:
C13H14O6N2F3BrSmiles:
O=C(N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1cc(C(F)(F)F)ncc1BrAglycone:
NC(=O)c1cc(C(F)(F)F)ncc1BrSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | -0.61 | Num_rotatable_bonds: | 3 |
| MolWt: | 431.16 | Num_heavy_atoms: | 25 |
| TPSA: | 132.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD39761
Formula: C7H4ON2F3Br
Smiles:
NC(=O)c1cc(C(F)(F)F)ncc1Br| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 1.96 | Num_rotatable_bonds: | 1 |
| MolWt: | 269.02 | Num_heavy_atoms: | 14 |
| TPSA: | 55.98 | NumAromaticRings: | 1 |
