Glycoside
GD106358
Name:
NoneFormula:
C11H19O13N5P3ClSmiles:
Nc1nc(Cl)c2ncn([C@@H]3O[C@H](CO[PH](O)(O)O[PH](O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2n1Aglycone:
CO[PH](O)(O)O[PH](O)(O)OP(=O)(O)O.Nc1nc(Cl)c2c(n1)[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.5 |
| AlogP: | -2.39 | Num_rotatable_bonds: | 8 |
| MolWt: | 545.66 | Num_heavy_atoms: | 32 |
| TPSA: | 285.45 | NumAromaticRings: | 2 |
Unique Aglycone
AD01464
Formula: C6H3N5Cl
Smiles:
Nc1nc(Cl)c2c(n1)[N]C=N2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 0 |
| MolWt: | 168.57 | Num_heavy_atoms: | 11 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD40402
Formula: CH11O10P3
Smiles:
CO[PH](O)(O)O[PH](O)(O)OP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | -1.45 | Num_rotatable_bonds: | 5 |
| MolWt: | 276.01 | Num_heavy_atoms: | 14 |
| TPSA: | 166.14 | NumAromaticRings: | 0 |
