Glycoside
GD038571
Name:
({[({[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)({[({[({[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy})phosphinic acidFormula:
C20H30O25N10P6Smiles:
Nc1ncnc2c1ncn2[C@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1OAglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC.Nc1ncnc2c1N=C[N]2.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 35 | RingCount: | 6 |
| HBD: | 14 | FractionCSP3: | 0.5 |
| AlogP: | -2.21 | Num_rotatable_bonds: | 18 |
| MolWt: | 996.35 | Num_heavy_atoms: | 61 |
| TPSA: | 527.03 | 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 |
AD05857
Formula: C2H12O19P6
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC| HBA: | 19 | RingCount: | 0 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 12 |
| MolWt: | 525.94 | Num_heavy_atoms: | 27 |
| TPSA: | 288.41 | NumAromaticRings: | 0 |
