Glycoside
GD088980
Name:
NoneFormula:
C17H25O9N3SSmiles:
O=C[C@H](NC1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)[C@@H](O)[C@H](O)[C@H](O)COAglycone:
NC1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1Sugarmoiety:
O=CC(O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.59 |
| AlogP: | -2.02 | Num_rotatable_bonds: | 10 |
| MolWt: | 447.47 | Num_heavy_atoms: | 30 |
| TPSA: | 190.54 | NumAromaticRings: | 1 |
Unique Aglycone
AD38894
Formula: C11H15O4N3S
Smiles:
NC1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.45 |
| AlogP: | 0.71 | Num_rotatable_bonds: | 3 |
| MolWt: | 285.33 | Num_heavy_atoms: | 19 |
| TPSA: | 106.54 | NumAromaticRings: | 1 |
