Glycoside
GD039131
Name:
5'-o-[(s)-hydroxy{[(r)-hydroxy{[(s)-hydroxy(methoxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]guanosineFormula:
C11H18O14N5P3Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H](n2cnc3c(=O)nc(N)[nH]c32)[C@H](O)[C@@H]1OAglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)OC.Nc1nc(=O)c2c([nH]1)[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.55 |
| AlogP: | -1.68 | Num_rotatable_bonds: | 9 |
| MolWt: | 537.21 | Num_heavy_atoms: | 33 |
| TPSA: | 288.1 | NumAromaticRings: | 2 |
Unique Aglycone
AD01192
Formula: C5H4ON5
Smiles:
Nc1nc(=O)c2c([nH]1)[N]C=N2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.23 | NumAromaticRings: | 1 |
AD02306
Formula: C2H9O10P3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)OC| HBA: | 10 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 6 |
| MolWt: | 286.01 | Num_heavy_atoms: | 15 |
| TPSA: | 148.82 | NumAromaticRings: | 0 |
