Glycoside
GD040521
Name:
5'-o-[(r)-hydroxy{[2-hydroxy-3,5-dimethyl-6-(2-oxo-2-sulfanylethyl)pyridin-4-yl]oxy}phosphoryl]guanosineFormula:
C19H23O10N6PSSmiles:
Cc1c(O)nc(CC(=O)S)c(C)c1OP(=O)(O)OC[C@H]1O[C@H](n2cnc3c(=O)[nH]c(N)nc32)[C@H](O)[C@@H]1OAglycone:
COP(=O)(O)Oc1c(C)c(O)nc(CC(=O)S)c1C.Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.42 |
| AlogP: | -0.77 | Num_rotatable_bonds: | 8 |
| MolWt: | 558.47 | Num_heavy_atoms: | 37 |
| TPSA: | 245.23 | 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 |
AD24799
Formula: C10H14O6NPS
Smiles:
COP(=O)(O)Oc1c(C)c(O)nc(CC(=O)S)c1C| HBA: | 7 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 1.53 | Num_rotatable_bonds: | 5 |
| MolWt: | 307.26 | Num_heavy_atoms: | 19 |
| TPSA: | 105.95 | NumAromaticRings: | 1 |
