Glycoside
GD122113
Name:
NoneFormula:
C19H25O4N5Smiles:
CNCc1cn(CC2OC(CC(=O)N3CCc4ccccc43)C(O)C2O)nn1Aglycone:
CC(=O)N1CCc2ccccc21.CNCc1cn(C)nn1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.53 |
| AlogP: | -0.53 | Num_rotatable_bonds: | 6 |
| MolWt: | 387.44 | Num_heavy_atoms: | 28 |
| TPSA: | 112.74 | NumAromaticRings: | 2 |
Unique Aglycone
AD13408
Formula: C5H10N4
Smiles:
CNCc1cn(C)nn1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | -0.47 | Num_rotatable_bonds: | 2 |
| MolWt: | 126.16 | Num_heavy_atoms: | 9 |
| TPSA: | 42.74 | NumAromaticRings: | 1 |
AD21383
Formula: C10H11ON
Smiles:
CC(=O)N1CCc2ccccc21| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.3 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 0 |
| MolWt: | 161.2 | Num_heavy_atoms: | 12 |
| TPSA: | 20.31 | NumAromaticRings: | 1 |
