Glycoside
GD095174
Name:
NoneFormula:
C22H26O7N4Smiles:
O=C(Nc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1)C(=O)[C@H](O)[C@H](O)[C@@H](O)COAglycone:
Nc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.36 |
| AlogP: | -1.37 | Num_rotatable_bonds: | 8 |
| MolWt: | 458.47 | Num_heavy_atoms: | 33 |
| TPSA: | 163.53 | NumAromaticRings: | 2 |
Unique Aglycone
AD40630
Formula: C16H18ON4
Smiles:
Nc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 1.63 | Num_rotatable_bonds: | 2 |
| MolWt: | 282.35 | Num_heavy_atoms: | 21 |
| TPSA: | 62.46 | NumAromaticRings: | 2 |
