Glycoside
GD054510
Name:
NoneFormula:
C12H13O5N3Cl2Smiles:
OC[C@H]1O[C@@H](O)[C@H](Nc2nnc(Cl)cc2Cl)[C@@H](O)[C@@H]1OAglycone:
Nc1nnc(Cl)cc1ClSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | -1.0 | Num_rotatable_bonds: | 3 |
| MolWt: | 326.14 | Num_heavy_atoms: | 20 |
| TPSA: | 127.96 | NumAromaticRings: | 1 |
Unique Aglycone
AD27775
Formula: C6H3N3Cl2
Smiles:
Nc1nnc(Cl)cc1Cl| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 0 |
| MolWt: | 164.0 | Num_heavy_atoms: | 9 |
| TPSA: | 51.8 | NumAromaticRings: | 1 |
