Glycoside
GD100930
Name:
NoneFormula:
C18H18O5N6FBrSmiles:
O=C(NCc1cccc(F)c1)Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
O=C(NCc1cccc(F)c1)Nc1ncnc2c1N=C(Br)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 0.66 | Num_rotatable_bonds: | 5 |
| MolWt: | 497.28 | Num_heavy_atoms: | 31 |
| TPSA: | 154.65 | NumAromaticRings: | 3 |
Unique Aglycone
AD42649
Formula: C13H9ON6FBr
Smiles:
O=C(NCc1cccc(F)c1)Nc1ncnc2c1N=C(Br)[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 2.57 | Num_rotatable_bonds: | 3 |
| MolWt: | 364.16 | Num_heavy_atoms: | 22 |
| TPSA: | 93.37 | NumAromaticRings: | 2 |
