Glycoside
GD082575
Name:
NoneFormula:
C12H16O10N3ClSSmiles:
O=[N+]([O-])c1cnc(Cl)cc1N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1OAglycone:
COS(O)(O)O.Nc1cc(Cl)ncc1[N+](=O)[O-]Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.55 |
| AlogP: | 0.02 | Num_rotatable_bonds: | 6 |
| MolWt: | 417.78 | Num_heavy_atoms: | 26 |
| TPSA: | 207.9 | NumAromaticRings: | 1 |
Unique Aglycone
AD12993
Formula: CH6O4S
Smiles:
COS(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 1 |
| MolWt: | 114.12 | Num_heavy_atoms: | 6 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
AD29123
Formula: C6H4O2N3Cl
Smiles:
Nc1cc(Cl)ncc1[N+](=O)[O-]| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.23 | Num_rotatable_bonds: | 1 |
| MolWt: | 173.56 | Num_heavy_atoms: | 11 |
| TPSA: | 82.05 | NumAromaticRings: | 1 |
