Glycoside
GD089996
Name:
NoneFormula:
C14H12O6N5Cl3SSmiles:
O=S(=O)(Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O)C(Cl)(Cl)ClAglycone:
O=S(=O)(Nc1ncnc2c1N=C[N]2)C(Cl)(Cl)ClSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.55 |
| AlogP: | -0.49 | Num_rotatable_bonds: | 4 |
| MolWt: | 448.67 | Num_heavy_atoms: | 26 |
| TPSA: | 159.69 | NumAromaticRings: | 2 |
Unique Aglycone
AD39156
Formula: C9H3O2N5Cl3S
Smiles:
O=S(=O)(Nc1ncnc2c1N=C[N]2)C(Cl)(Cl)Cl| HBA: | 7 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 1.46 | Num_rotatable_bonds: | 2 |
| MolWt: | 315.55 | Num_heavy_atoms: | 17 |
| TPSA: | 98.41 | NumAromaticRings: | 1 |
