Glycoside
GD145821
Name:
P(1)-(5'-Adenosyl),P(4)-(5'-Guanosyl) TetraphosphateFormula:
C20H28O20N10P4Smiles:
N=c1nc(O)c2ncn(C3OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC4OC(n5cnc6c(N)ncnc65)C(O)C4O)C(O)C3O)c2[nH]1Aglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC.N=c1nc(O)c2c([nH]1)[N]C=N2.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 30 | RingCount: | 6 |
| HBD: | 13 | FractionCSP3: | 0.5 |
| AlogP: | -2.91 | Num_rotatable_bonds: | 14 |
| MolWt: | 852.39 | Num_heavy_atoms: | 54 |
| TPSA: | 454.93 | 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 |
AD02144
Formula: C2H10O13P4
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC| HBA: | 13 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 8 |
| MolWt: | 365.99 | Num_heavy_atoms: | 19 |
| TPSA: | 195.35 | NumAromaticRings: | 0 |
AD44903
Formula: C5H4ON5
Smiles:
N=c1nc(O)c2c([nH]1)[N]C=N2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 99.22 | NumAromaticRings: | 1 |
