Glycoside
GD038454
Name:
diphosphomethylphosphonic acid adenylate esterFormula:
C11H19O15N5P4Smiles:
Nc1ncnc2c1ncn2[C@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)C[P@](=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]1OAglycone:
COP(=O)(O)OP(=O)(O)CP(=O)(O)OP(=O)(O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.55 |
| AlogP: | -1.4 | Num_rotatable_bonds: | 10 |
| MolWt: | 585.19 | Num_heavy_atoms: | 35 |
| TPSA: | 316.43 | NumAromaticRings: | 2 |
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 |
AD24026
Formula: C2H10O12P4
Smiles:
COP(=O)(O)OP(=O)(O)CP(=O)(O)OP(=O)(O)O| HBA: | 12 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 0.19 | Num_rotatable_bonds: | 7 |
| MolWt: | 349.99 | Num_heavy_atoms: | 18 |
| TPSA: | 197.12 | NumAromaticRings: | 0 |
