Glycoside
GD092542
Name:
NoneFormula:
C16H19O7N5FPSmiles:
O[C@@H]1[C@H](O[PH](O)(O)O)O[C@@H](n2cnc3c(NCc4ccc(F)cc4)ncnc32)[C@@H]1OAglycone:
Fc1ccc(CNc2ncnc3c2N=C[N]3)cc1.O[PH](O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.31 |
| AlogP: | -0.44 | Num_rotatable_bonds: | 6 |
| MolWt: | 443.33 | Num_heavy_atoms: | 30 |
| TPSA: | 175.24 | NumAromaticRings: | 3 |
Unique Aglycone
AD07560
Formula: C12H9N5F
Smiles:
Fc1ccc(CNc2ncnc3c2N=C[N]3)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 2.14 | Num_rotatable_bonds: | 3 |
| MolWt: | 242.24 | Num_heavy_atoms: | 18 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
AD24820
Formula: H5O4P
Smiles:
O[PH](O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | -1.63 | Num_rotatable_bonds: | 0 |
| MolWt: | 100.01 | Num_heavy_atoms: | 5 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
