Glycoside
GD063409
Name:
NoneFormula:
C15H23O6N4Smiles:
Nc1ccc[nH+]c1N1CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC1Aglycone:
Nc1ccc[nH+]c1N1CCNCC1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.53 |
| AlogP: | -3.62 | Num_rotatable_bonds: | 6 |
| MolWt: | 355.37 | Num_heavy_atoms: | 25 |
| TPSA: | 161.7 | NumAromaticRings: | 1 |
Unique Aglycone
AD30548
Formula: C9H15N4
Smiles:
Nc1ccc[nH+]c1N1CCNCC1| HBA: | 4 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | -0.51 | Num_rotatable_bonds: | 1 |
| MolWt: | 179.25 | Num_heavy_atoms: | 13 |
| TPSA: | 55.43 | NumAromaticRings: | 1 |
