Glycoside
GD021612
Name:
NoneFormula:
C15H15O4N3Cl2Smiles:
CNc1nc2cc(Cl)c(Cl)cc2n1[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
CNC1=Nc2cc(Cl)c(Cl)cc2[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.46 |
| AlogP: | 1.0 | Num_rotatable_bonds: | 3 |
| MolWt: | 348.19 | Num_heavy_atoms: | 22 |
| TPSA: | 99.77 | NumAromaticRings: | 2 |
Unique Aglycone
AD14747
Formula: C10H6N3Cl2
Smiles:
CNC1=Nc2cc(Cl)c(Cl)cc2[N]1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 2.45 | Num_rotatable_bonds: | 0 |
| MolWt: | 215.06 | Num_heavy_atoms: | 13 |
| TPSA: | 38.49 | NumAromaticRings: | 1 |
