Glycoside
GD068186
Name:
NoneFormula:
C16H20O4N6Smiles:
OC[C@H]1O[C@@H](n2cnc3c(NCCc4ccc[nH]4)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=Nc2c(ncnc2NCCc2ccc[nH]2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | -0.58 | Num_rotatable_bonds: | 6 |
| MolWt: | 360.37 | Num_heavy_atoms: | 26 |
| TPSA: | 141.34 | NumAromaticRings: | 3 |
Unique Aglycone
AD32353
Formula: C11H11N6
Smiles:
C1=Nc2c(ncnc2NCCc2ccc[nH]2)[N]1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.18 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 4 |
| MolWt: | 227.25 | Num_heavy_atoms: | 17 |
| TPSA: | 80.06 | NumAromaticRings: | 2 |
