Glycoside
GD072942
Name:
NoneFormula:
C18H26O6N4Smiles:
O=C(C(=O)N1CC(N2CCN(c3ccccn3)CC2)C1)[C@H](O)[C@@H](O)[C@H](O)COAglycone:
c1ccc(N2CCN(C3CNC3)CC2)nc1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.61 |
| AlogP: | -2.94 | Num_rotatable_bonds: | 7 |
| MolWt: | 394.43 | Num_heavy_atoms: | 28 |
| TPSA: | 137.67 | NumAromaticRings: | 1 |
Unique Aglycone
AD33919
Formula: C12H18N4
Smiles:
c1ccc(N2CCN(C3CNC3)CC2)nc1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.58 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 2 |
| MolWt: | 218.3 | Num_heavy_atoms: | 16 |
| TPSA: | 31.4 | NumAromaticRings: | 1 |
