Glycoside
GD020679
Name:
NoneFormula:
C13H16O11N5P3Cl2SSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](O)(=S)OP(=O)(O)C(Cl)(Cl)P(=O)(O)O)[C@H](O)[C@H]1OAglycone:
COP(O)(=S)OP(=O)(O)C(Cl)(Cl)P(=O)(O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.55 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 8 |
| MolWt: | 590.17 | Num_heavy_atoms: | 33 |
| TPSA: | 252.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD14244
Formula: C4H7O8P3Cl2S
Smiles:
COP(O)(=S)OP(=O)(O)C(Cl)(Cl)P(=O)(O)O| HBA: | 8 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 1.32 | Num_rotatable_bonds: | 5 |
| MolWt: | 354.96 | Num_heavy_atoms: | 16 |
| TPSA: | 133.52 | NumAromaticRings: | 0 |
