Glycoside
GD082002
Name:
NoneFormula:
C13H14O6N4FBrSmiles:
O=C(N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1nc2c(Br)cc(F)cn2n1Aglycone:
NC(=O)c1nc2c(Br)cc(F)cn2n1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | -1.84 | Num_rotatable_bonds: | 3 |
| MolWt: | 421.18 | Num_heavy_atoms: | 25 |
| TPSA: | 149.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD36818
Formula: C7H4ON4FBr
Smiles:
NC(=O)c1nc2c(Br)cc(F)cn2n1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 1 |
| MolWt: | 259.04 | Num_heavy_atoms: | 14 |
| TPSA: | 73.28 | NumAromaticRings: | 2 |
