Glycoside
GD031400
Name:
NoneFormula:
C17H15O6N5Cl2Smiles:
Nc1nc(N)[n+]([C@@H]2O[C@H](C(=O)[O-])[C@H](O)[C@H](O)[C@H]2O)nc1-c1cccc(Cl)c1ClAglycone:
Nc1nc(N)c(-c2cccc(Cl)c2Cl)n[nH+]1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.33 |
| AlogP: | -2.37 | Num_rotatable_bonds: | 3 |
| MolWt: | 432.22 | Num_heavy_atoms: | 28 |
| TPSA: | 191.75 | NumAromaticRings: | 2 |
Unique Aglycone
AD20235
Formula: C11H8N5Cl2
Smiles:
Nc1nc(N)c(-c2cccc(Cl)c2Cl)n[nH+]1| HBA: | 5 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 1 |
| MolWt: | 257.1 | Num_heavy_atoms: | 16 |
| TPSA: | 91.96 | NumAromaticRings: | 2 |
