Glycoside
GD014002
Name:
NoneFormula:
C17H16O4N3FSmiles:
OC[C@@H]1O[C@H](n2ccc3c(-c4ccc(F)cc4)ncnc32)[C@H](O)[C@H]1OAglycone:
Fc1ccc(-c2ncnc3c2C=C[N]3)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 0.85 | Num_rotatable_bonds: | 3 |
| MolWt: | 345.33 | Num_heavy_atoms: | 25 |
| TPSA: | 100.63 | NumAromaticRings: | 3 |
Unique Aglycone
AD10373
Formula: C12H7N3F
Smiles:
Fc1ccc(-c2ncnc3c2C=C[N]3)cc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 2.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 212.21 | Num_heavy_atoms: | 16 |
| TPSA: | 39.88 | NumAromaticRings: | 2 |
