Glycoside
GD025116
Name:
NoneFormula:
C11H18O9N6P2Smiles:
Nc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(O)CP(=O)(O)O)[C@H](O)[C@H]3O)c2n1Aglycone:
COP(=O)(O)CP(=O)(O)O.Nc1nc(N)c2c(n1)[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.55 |
| AlogP: | -2.05 | Num_rotatable_bonds: | 6 |
| MolWt: | 440.25 | Num_heavy_atoms: | 28 |
| TPSA: | 249.39 | NumAromaticRings: | 2 |
Unique Aglycone
AD01628
Formula: C5H5N6
Smiles:
Nc1nc(N)c2c(n1)[N]C=N2| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | -0.45 | Num_rotatable_bonds: | 0 |
| MolWt: | 149.14 | Num_heavy_atoms: | 11 |
| TPSA: | 104.28 | NumAromaticRings: | 1 |
AD02310
Formula: C2H8O6P2
Smiles:
COP(=O)(O)CP(=O)(O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 3 |
| MolWt: | 190.03 | Num_heavy_atoms: | 10 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
