Glycoside
GD039381
Name:
o-[(1r,2r,3r)-5-{[(s)-{[(2r,3r,4r,5r)-2-(2-amino-6-oxo-3,6-dihydro-9h-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydro furan-3-yl]oxy}(sulfanyl)phosphoryl]oxy}-1-(6-amino-9h-purin-9-yl)-1,2-dihydroxypentan-3-yl] dihydrogen (r)-phosphorothioateFormula:
C20H28O12N10P2S2Smiles:
Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O[P@@](=O)(S)OCC[C@H](OP(=O)(O)S)[C@H](O)[C@H](O)n3cnc4c(N)ncnc43)c2[nH]1Aglycone:
Nc1nc(=O)c2c([nH]1)[N]C=N2.Nc1ncnc2c1ncn2C(O)C(O)C(CCOP(=O)(O)S)OP(=O)(O)SSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.5 |
| AlogP: | -1.53 | Num_rotatable_bonds: | 13 |
| MolWt: | 726.58 | Num_heavy_atoms: | 46 |
| TPSA: | 331.42 | NumAromaticRings: | 4 |
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 |
AD24382
Formula: C10H17O8N5P2S2
Smiles:
Nc1ncnc2c1ncn2C(O)C(O)C(CCOP(=O)(O)S)OP(=O)(O)S| HBA: | 13 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | 0.11 | Num_rotatable_bonds: | 9 |
| MolWt: | 461.36 | Num_heavy_atoms: | 27 |
| TPSA: | 203.14 | NumAromaticRings: | 2 |
