Glycoside
GD030317
Name:
NoneFormula:
C19H20O9N6PClSmiles:
Nc1nc2c(c(=O)[nH]1)[n+](CC(=O)Nc1ccc(Cl)cc1)cn2[C@@H]1O[C@H](COP(=O)([O-])O)[C@H](O)[C@H]1OAglycone:
COP(=O)([O-])O.Nc1nc2c(c(=O)[nH]1)[N+](CC(=O)Nc1ccc(Cl)cc1)=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.33 |
| AlogP: | -2.02 | Num_rotatable_bonds: | 7 |
| MolWt: | 530.82 | Num_heavy_atoms: | 35 |
| TPSA: | 228.96 | NumAromaticRings: | 3 |
Unique Aglycone
AD00397
Formula: CH4O4P
Smiles:
COP(=O)([O-])O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.91 | Num_rotatable_bonds: | 1 |
| MolWt: | 111.01 | Num_heavy_atoms: | 6 |
| TPSA: | 69.59 | NumAromaticRings: | 0 |
AD19619
Formula: C14H11O2N6Cl
Smiles:
Nc1nc2c(c(=O)[nH]1)[N+](CC(=O)Nc1ccc(Cl)cc1)=C[N]2| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.08 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 3 |
| MolWt: | 318.72 | Num_heavy_atoms: | 22 |
| TPSA: | 117.98 | NumAromaticRings: | 2 |
