Glycoside
GD018398
Name:
NoneFormula:
C11H14O9N5PSmiles:
Nc1nc(O)c2ncn(C3O[C@H](COP(=O)(O)C(=O)O)[C@H](O)[C@H]3O)c2n1Aglycone:
COP(=O)(O)C(=O)O.Nc1nc(O)c2c(n1)[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.45 |
| AlogP: | -1.39 | Num_rotatable_bonds: | 5 |
| MolWt: | 391.23 | Num_heavy_atoms: | 26 |
| TPSA: | 223.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD00080
Formula: C5H4ON5
Smiles:
Nc1nc(O)c2c(n1)[N]C=N2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.49 | NumAromaticRings: | 1 |
AD12986
Formula: C2H5O5P
Smiles:
COP(=O)(O)C(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 2 |
| MolWt: | 140.03 | Num_heavy_atoms: | 8 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
