Glycoside
GD088874
Name:
NoneFormula:
C17H26O9N3SSmiles:
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC([NH2+][C@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)CC1Aglycone:
[NH3+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1Sugarmoiety:
OCC1OC(O)C([OH2+])C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.65 |
| AlogP: | -2.89 | Num_rotatable_bonds: | 6 |
| MolWt: | 448.47 | Num_heavy_atoms: | 30 |
| TPSA: | 187.28 | NumAromaticRings: | 1 |
Unique Aglycone
AD38871
Formula: C11H16O4N3S
Smiles:
[NH3+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.45 |
| AlogP: | -0.01 | Num_rotatable_bonds: | 3 |
| MolWt: | 286.33 | Num_heavy_atoms: | 19 |
| TPSA: | 108.16 | NumAromaticRings: | 1 |
