Glycoside
GD119527
Name:
NoneFormula:
C17H20O6N8Smiles:
Nc1ncnc2c1nc(NN=Cc1cccc([NH+]([O-])O)c1)n2C1OC(CO)C(O)C1OAglycone:
Nc1ncnc2c1N=C(NN=Cc1cccc([NH+]([O-])O)c1)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.29 |
| AlogP: | -2.13 | Num_rotatable_bonds: | 6 |
| MolWt: | 432.4 | Num_heavy_atoms: | 31 |
| TPSA: | 211.66 | NumAromaticRings: | 3 |
Unique Aglycone
AD47905
Formula: C12H11O2N8
Smiles:
Nc1ncnc2c1N=C(NN=Cc1cccc([NH+]([O-])O)c1)[N]2| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | -0.68 | Num_rotatable_bonds: | 3 |
| MolWt: | 299.27 | Num_heavy_atoms: | 22 |
| TPSA: | 150.38 | NumAromaticRings: | 2 |
