Glycoside
GD039858
Name:
{[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(benzoyloxy)phosphinic acidFormula:
C17H18O8N5PSmiles:
Nc1ncnc2c1ncn2[C@H]1O[C@H](COP(=O)(O)OC(=O)c2ccccc2)[C@@H](O)[C@H]1OAglycone:
COP(=O)(O)OC(=O)c1ccccc1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | 0.0 | Num_rotatable_bonds: | 6 |
| MolWt: | 451.33 | Num_heavy_atoms: | 31 |
| TPSA: | 192.14 | NumAromaticRings: | 3 |
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 |
AD24558
Formula: C8H9O5P
Smiles:
COP(=O)(O)OC(=O)c1ccccc1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 216.13 | Num_heavy_atoms: | 14 |
| TPSA: | 72.83 | NumAromaticRings: | 1 |
