Glycoside
GD082448
Name:
NoneFormula:
C19H29O7N4Smiles:
Cc1ccc(N(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)[C@H]2CO[C@@]3(CCC[NH2+]C3)C2)nn1Aglycone:
Cc1ccc(NC2COC3(CCC[NH2+]C3)C2)nn1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.68 |
| AlogP: | -3.35 | Num_rotatable_bonds: | 7 |
| MolWt: | 425.46 | Num_heavy_atoms: | 30 |
| TPSA: | 169.92 | NumAromaticRings: | 1 |
Unique Aglycone
AD37050
Formula: C13H21ON4
Smiles:
Cc1ccc(NC2COC3(CCC[NH2+]C3)C2)nn1| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.69 |
| AlogP: | 0.08 | Num_rotatable_bonds: | 2 |
| MolWt: | 249.34 | Num_heavy_atoms: | 18 |
| TPSA: | 63.65 | NumAromaticRings: | 1 |
