Glycoside
GD018113
Name:
NoneFormula:
C18H21O4N7Smiles:
Nc1nc(NN=CCc2ccccc2)nc2c1ncn2C1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
Nc1nc(NN=CCc2ccccc2)nc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 6 |
| MolWt: | 399.41 | Num_heavy_atoms: | 29 |
| TPSA: | 163.93 | NumAromaticRings: | 3 |
Unique Aglycone
AD12832
Formula: C13H12N7
Smiles:
Nc1nc(NN=CCc2ccccc2)nc2c1N=C[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.08 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 4 |
| MolWt: | 266.29 | Num_heavy_atoms: | 20 |
| TPSA: | 102.65 | NumAromaticRings: | 2 |
