Glycoside
GD022508
Name:
({[({[5-(6-amino-9H-purin-9-yl)-3-(4-benzoylbenzoyloxy)-4-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acidFormula:
C24H24O15N5P3Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](OC(=O)c2ccc(C(=O)c3ccccc3)cc2)[C@H]1OAglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O.Nc1ncnc2c1N=C[N]2.O=C(O)c1ccc(C(=O)c2ccccc2)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.21 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 12 |
| MolWt: | 715.4 | Num_heavy_atoms: | 47 |
| TPSA: | 302.27 | NumAromaticRings: | 4 |
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 |
AD00534
Formula: CH7O10P3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 271.98 | Num_heavy_atoms: | 14 |
| TPSA: | 159.82 | NumAromaticRings: | 0 |
AD15247
Formula: C14H10O3
Smiles:
O=C(O)c1ccc(C(=O)c2ccccc2)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.62 | Num_rotatable_bonds: | 3 |
| MolWt: | 226.23 | Num_heavy_atoms: | 17 |
| TPSA: | 54.37 | NumAromaticRings: | 2 |
