Glycoside
GD035137
Name:
NoneFormula:
C18H16O4N4FClSmiles:
Nc1ncnc2c1ccn2[C@@H]1O[C@H]([C@H](O)c2ccc(Cl)c(F)c2)[C@H](O)[C@H]1OAglycone:
Nc1ncnc2c1C=C[N]2.OCc1ccc(Cl)c(F)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | 1.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 394.79 | Num_heavy_atoms: | 27 |
| TPSA: | 126.65 | NumAromaticRings: | 3 |
Unique Aglycone
AD00138
Formula: C6H5N4
Smiles:
Nc1ncnc2c1C=C[N]2| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 0 |
| MolWt: | 133.13 | Num_heavy_atoms: | 10 |
| TPSA: | 65.9 | NumAromaticRings: | 1 |
AD22248
Formula: C8H6OFCl
Smiles:
OCc1ccc(Cl)c(F)c1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.97 | Num_rotatable_bonds: | 1 |
| MolWt: | 160.57 | Num_heavy_atoms: | 10 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
