Glycoside
GD037831
Name:
5'-o-[(r)-hydroxy{[(s)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-n-[3-(propanoylamino)propyl]guanosineFormula:
C16H28O14N7P3Smiles:
CCC(=O)NCCCNc1nc(=O)c2ncn([C@H]3O[C@H](COP(=O)(O)OP(=O)(O)NP(=O)(O)O)[C@H](O)[C@@H]3O)c2[nH]1Aglycone:
CCC(=O)NCCCNc1nc(=O)c2c([nH]1)[N]C=N2.COP(=O)(O)OP(=O)(O)NP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.62 |
| AlogP: | -2.02 | Num_rotatable_bonds: | 14 |
| MolWt: | 635.36 | Num_heavy_atoms: | 40 |
| TPSA: | 317.01 | NumAromaticRings: | 2 |
Unique Aglycone
AD00256
Formula: CH8O9NP3
Smiles:
COP(=O)(O)OP(=O)(O)NP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | -0.47 | Num_rotatable_bonds: | 5 |
| MolWt: | 270.99 | Num_heavy_atoms: | 14 |
| TPSA: | 162.62 | NumAromaticRings: | 0 |
AD23748
Formula: C11H15O2N6
Smiles:
CCC(=O)NCCCNc1nc(=O)c2c([nH]1)[N]C=N2| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.45 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 6 |
| MolWt: | 263.28 | Num_heavy_atoms: | 19 |
| TPSA: | 113.34 | NumAromaticRings: | 1 |
