Glycoside
GD070616
Name:
NoneFormula:
C18H21O4N5Smiles:
N#CC1CCC(=Nc2ncnc3c2ccn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)CC1Aglycone:
N#CC1CCC(=Nc2ncnc3c2C=C[N]3)CC1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.56 |
| AlogP: | 0.83 | Num_rotatable_bonds: | 3 |
| MolWt: | 371.4 | Num_heavy_atoms: | 27 |
| TPSA: | 136.78 | NumAromaticRings: | 2 |
Unique Aglycone
AD33452
Formula: C13H12N5
Smiles:
N#CC1CCC(=Nc2ncnc3c2C=C[N]3)CC1| HBA: | 5 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.38 |
| AlogP: | 2.48 | Num_rotatable_bonds: | 1 |
| MolWt: | 238.27 | Num_heavy_atoms: | 18 |
| TPSA: | 76.03 | NumAromaticRings: | 1 |
