Glycoside
GD038433
Name:
5'-o-[(s)-hydroxy{[(r)-hydroxy({(s)-hydroxy[(1s)-1-(2-nitrophenyl)ethoxy]phosphoryl}oxy)phosphoryl]oxy}phosphoryl]adenosineFormula:
C18H23O15N6P3Smiles:
C[C@@H](OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)c1ccccc1[N+](=O)[O-]Aglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)OC(C)c1ccccc1[N+](=O)[O-].Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.39 |
| AlogP: | 1.06 | Num_rotatable_bonds: | 12 |
| MolWt: | 656.33 | Num_heavy_atoms: | 42 |
| TPSA: | 311.27 | 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 |
AD24020
Formula: C9H14O12NP3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)OC(C)c1ccccc1[N+](=O)[O-]| HBA: | 13 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 2.65 | Num_rotatable_bonds: | 9 |
| MolWt: | 421.13 | Num_heavy_atoms: | 25 |
| TPSA: | 191.96 | NumAromaticRings: | 1 |
