Glycoside
GD037764
Name:
5'-o-monophosphoryladenylyl(2'->5')adenylyl(2'->5')adenosineFormula:
C30H38O19N15P3Smiles:
Nc1ncnc2c1ncn2[C@H]1O[C@H](CO[P@](=O)(O)O[C@@H]2[C@@H](O)[C@@H](CO[P@](=O)(O)O[C@@H]3[C@@H](O)[C@@H](COP(=O)(O)O)O[C@H]3n3cnc4c(N)ncnc43)O[C@H]2n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OAglycone:
COP(=O)(O)O.COP(=O)(O)O.COP(=O)(O)O.Nc1ncnc2c1N=C[N]2.Nc1ncnc2c1N=C[N]2.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 34 | RingCount: | 9 |
| HBD: | 14 | FractionCSP3: | 0.5 |
| AlogP: | -3.5 | Num_rotatable_bonds: | 16 |
| MolWt: | 1005.64 | Num_heavy_atoms: | 67 |
| TPSA: | 495.75 | NumAromaticRings: | 6 |
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 |
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 |
