Glycoside
GD031643
Name:
NoneFormula:
C19H22O4N6Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CCC(=O)NCc2ccccc2)[C@H](O)[C@H]1OAglycone:
CCC(=O)NCc1ccccc1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.37 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 6 |
| MolWt: | 398.42 | Num_heavy_atoms: | 29 |
| TPSA: | 148.41 | NumAromaticRings: | 3 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD17075
Formula: C10H13ON
Smiles:
CCC(=O)NCc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 3 |
| MolWt: | 163.22 | Num_heavy_atoms: | 12 |
| TPSA: | 29.1 | NumAromaticRings: | 1 |
