Glycoside
GD070644
Name:
NoneFormula:
C18H18O4N5Smiles:
N#Cc1ccc(Nc2[nH+]cnc3c2ccn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1Aglycone:
N#Cc1ccc(Nc2[nH+]cnc3c2C=C[N]3)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.28 |
| AlogP: | 0.08 | Num_rotatable_bonds: | 4 |
| MolWt: | 368.37 | Num_heavy_atoms: | 27 |
| TPSA: | 137.7 | NumAromaticRings: | 3 |
Unique Aglycone
AD33465
Formula: C13H9N5
Smiles:
N#Cc1ccc(Nc2[nH+]cnc3c2C=C[N]3)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.73 | Num_rotatable_bonds: | 2 |
| MolWt: | 235.25 | Num_heavy_atoms: | 18 |
| TPSA: | 76.95 | NumAromaticRings: | 2 |
