Glycoside
GD036523
Name:
NoneFormula:
C16H15O10N3SSmiles:
O=C(Nc1ncc([N+](=O)[O-])s1)c1ccccc1O[C@@H]1O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=C(Nc1ncc([N+](=O)[O-])s1)c1ccccc1OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.31 |
| AlogP: | -0.43 | Num_rotatable_bonds: | 6 |
| MolWt: | 441.37 | Num_heavy_atoms: | 30 |
| TPSA: | 201.58 | NumAromaticRings: | 2 |
Unique Aglycone
AD23022
Formula: C10H7O4N3S
Smiles:
O=C(Nc1ncc([N+](=O)[O-])s1)c1ccccc1O| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.01 | Num_rotatable_bonds: | 3 |
| MolWt: | 265.25 | Num_heavy_atoms: | 18 |
| TPSA: | 105.36 | NumAromaticRings: | 2 |
