Glycoside
GD038436
Name:
{[5-(6-amino-7H-purin-7-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acidFormula:
C10H14O7N5PSmiles:
Nc1ncnc2ncn([C@H]3O[C@H](COP(=O)(O)O)[C@H](O)[C@@H]3O)c12Aglycone:
COP(=O)(O)O.Nc1ncnc2c1[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -1.86 | Num_rotatable_bonds: | 4 |
| MolWt: | 347.22 | Num_heavy_atoms: | 23 |
| TPSA: | 186.07 | 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 |
AD08370
Formula: C5H4N5
Smiles:
Nc1ncnc2c1[N]C=N2| 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 |
