Glycoside
GD005794
Name:
NoneFormula:
C12H18O6N5PSmiles:
COP(C)(=O)OC[C@@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
COP(C)(=O)OC.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.58 |
| AlogP: | -0.49 | Num_rotatable_bonds: | 5 |
| MolWt: | 359.28 | Num_heavy_atoms: | 24 |
| TPSA: | 154.84 | 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 |
AD04869
Formula: C3H9O3P
Smiles:
COP(C)(=O)OC| HBA: | 3 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 2 |
| MolWt: | 124.08 | Num_heavy_atoms: | 7 |
| TPSA: | 35.53 | NumAromaticRings: | 0 |
