Glycoside
GD038568
Name:
9-(5-o-{(s)-hydroxy[(2-hydroxy-5-methylbenzene-1-carbonyl)oxy]phosphoryl}-alpha-l-lyxofuranosyl)-9h-purin-6-amineFormula:
C18H20O9N5PSmiles:
Cc1ccc(O)c(C(=O)OP(=O)(O)OC[C@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)c1Aglycone:
COP(=O)(O)OC(=O)c1cc(C)ccc1O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | 0.02 | Num_rotatable_bonds: | 6 |
| MolWt: | 481.36 | Num_heavy_atoms: | 33 |
| TPSA: | 212.37 | NumAromaticRings: | 3 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD24060
Formula: C9H11O6P
Smiles:
COP(=O)(O)OC(=O)c1cc(C)ccc1O| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 3 |
| MolWt: | 246.15 | Num_heavy_atoms: | 16 |
| TPSA: | 93.06 | NumAromaticRings: | 1 |
