Glycoside
GD008271
Name:
DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTERFormula:
C11H18O12N5P3Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)CP(=O)(O)OP(=O)(O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.55 |
| AlogP: | -1.52 | Num_rotatable_bonds: | 8 |
| MolWt: | 505.21 | Num_heavy_atoms: | 31 |
| TPSA: | 269.9 | 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 |
AD06622
Formula: C2H9O9P3
Smiles:
COP(=O)(O)CP(=O)(O)OP(=O)(O)O| HBA: | 9 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 5 |
| MolWt: | 270.01 | Num_heavy_atoms: | 14 |
| TPSA: | 150.59 | NumAromaticRings: | 0 |
