Glycoside
GD097460
Name:
NoneFormula:
C19H19O7N4ClSSmiles:
O=S(=O)(c1ccccc1)n1c(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)cc2c(Cl)ncnc21Aglycone:
Nc1cc2c(Cl)ncnc2n1S(=O)(=O)c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | -0.47 | Num_rotatable_bonds: | 5 |
| MolWt: | 470.89 | Num_heavy_atoms: | 31 |
| TPSA: | 167.03 | NumAromaticRings: | 3 |
Unique Aglycone
AD41454
Formula: C13H9O2N4ClS
Smiles:
Nc1cc2c(Cl)ncnc2n1S(=O)(=O)c1ccccc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 2 |
| MolWt: | 308.75 | Num_heavy_atoms: | 20 |
| TPSA: | 90.87 | NumAromaticRings: | 3 |
