Glycoside
GD040461
Name:
5'-o-[(r)-[(3,6-dimethyl-2-oxo-1,2-dihydropyridin-4-yl)oxy](hydroxy)phosphoryl]guanosineFormula:
C17H21O9N6PSmiles:
Cc1cc(OP(=O)(O)OC[C@H]2O[C@H](n3cnc4c(=O)[nH]c(N)nc43)[C@H](O)[C@@H]2O)c(C)c(=O)[nH]1Aglycone:
COP(=O)(O)Oc1cc(C)[nH]c(=O)c1C.Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.41 |
| AlogP: | -1.18 | Num_rotatable_bonds: | 6 |
| MolWt: | 484.36 | Num_heavy_atoms: | 33 |
| TPSA: | 227.9 | NumAromaticRings: | 3 |
Unique Aglycone
AD00207
Formula: C5H4ON5
Smiles:
Nc1nc2c(c(=O)[nH]1)N=C[N]2| 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 |
AD24778
Formula: C8H12O5NP
Smiles:
COP(=O)(O)Oc1cc(C)[nH]c(=O)c1C| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 3 |
| MolWt: | 233.16 | Num_heavy_atoms: | 15 |
| TPSA: | 88.62 | NumAromaticRings: | 1 |
