Glycoside
GD022144
Name:
NoneFormula:
C21H22O4N6Smiles:
Nc1nc(NCc2cccc3ccccc23)c2ncn(C3O[C@H](CO)[C@H](O)[C@H]3O)c2n1Aglycone:
Nc1nc2c(c(NCc3cccc4ccccc34)n1)N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.29 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 5 |
| MolWt: | 422.45 | Num_heavy_atoms: | 31 |
| TPSA: | 151.57 | NumAromaticRings: | 4 |
Unique Aglycone
AD15048
Formula: C16H13N6
Smiles:
Nc1nc2c(c(NCc3cccc4ccccc34)n1)N=C[N]2| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.73 | Num_rotatable_bonds: | 3 |
| MolWt: | 289.32 | Num_heavy_atoms: | 22 |
| TPSA: | 90.29 | NumAromaticRings: | 3 |
