Glycoside
GD070313
Name:
NoneFormula:
C17H17O4N4FSmiles:
OC[C@H]1O[C@@H](n2ccc3c(Nc4cccc(F)c4)ncnc32)[C@H](O)[C@@H]1OAglycone:
Fc1cccc(Nc2ncnc3c2C=C[N]3)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 4 |
| MolWt: | 360.35 | Num_heavy_atoms: | 26 |
| TPSA: | 112.66 | NumAromaticRings: | 3 |
Unique Aglycone
AD33308
Formula: C12H8N4F
Smiles:
Fc1cccc(Nc2ncnc3c2C=C[N]3)c1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 227.22 | Num_heavy_atoms: | 17 |
| TPSA: | 51.91 | NumAromaticRings: | 2 |
