Glycoside
GD039716
Name:
((2r,3s,4r,5s)-5-(2,6-diamino-9h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl)methyl dihydrogen phosphateFormula:
C10H15O7N6PSmiles:
Nc1nc(N)c2ncn([C@H]3O[C@H](COP(=O)(O)O)[C@H](O)[C@@H]3O)c2n1Aglycone:
COP(=O)(O)O.Nc1nc(N)c2c(n1)[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | -2.28 | Num_rotatable_bonds: | 4 |
| MolWt: | 362.24 | Num_heavy_atoms: | 24 |
| TPSA: | 212.09 | NumAromaticRings: | 2 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
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 |
