Glycoside
GD078859
Name:
NoneFormula:
C18H16O4N5FSmiles:
N#Cc1cc(Nc2ncnc3c2ccn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc1FAglycone:
N#Cc1cc(Nc2ncnc3c2C=C[N]3)ccc1FSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.28 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 4 |
| MolWt: | 385.36 | Num_heavy_atoms: | 28 |
| TPSA: | 136.45 | NumAromaticRings: | 3 |
Unique Aglycone
AD36232
Formula: C13H7N5F
Smiles:
N#Cc1cc(Nc2ncnc3c2C=C[N]3)ccc1F| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.45 | Num_rotatable_bonds: | 2 |
| MolWt: | 252.23 | Num_heavy_atoms: | 19 |
| TPSA: | 75.7 | NumAromaticRings: | 2 |
