Glycoside
GD037830
Name:
n-[3-(propanoylamino)propyl]guanosine 5'-(tetrahydrogen triphosphate)Formula:
C16H27O15N6P3Smiles:
CCC(=O)NCCCNc1nc(=O)c2ncn([C@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=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)OP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.62 |
| AlogP: | -1.59 | Num_rotatable_bonds: | 14 |
| MolWt: | 636.34 | Num_heavy_atoms: | 40 |
| TPSA: | 314.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD00534
Formula: CH7O10P3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 271.98 | Num_heavy_atoms: | 14 |
| TPSA: | 159.82 | 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 |
