Glycoside
GD039334
Name:
5'-o-[(s)-hydroxy{[2-hydroxy-3,5-dimethyl-6-(2-oxoethyl)pyridin-4-yl]oxy}phosphoryl]guanosineFormula:
C19H23O10N6PSmiles:
Cc1c(O)nc(CC=O)c(C)c1O[P@](=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)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: | -1.02 | Num_rotatable_bonds: | 8 |
| MolWt: | 526.4 | Num_heavy_atoms: | 36 |
| 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 |
AD24356
Formula: C10H14O6NP
Smiles:
COP(=O)(O)Oc1c(C)c(O)nc(CC=O)c1C| HBA: | 7 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 1.27 | Num_rotatable_bonds: | 5 |
| MolWt: | 275.2 | Num_heavy_atoms: | 18 |
| TPSA: | 105.95 | NumAromaticRings: | 1 |
