Glycoside
GD039956
Name:
5'-o-{(s)-hydroxy[(4-methyl-2-oxopentanoyl)oxy]phosphoryl}adenosineFormula:
C16H22O9N5PSmiles:
CC(C)CC(=O)C(=O)OP(=O)(O)OC[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OAglycone:
COP(=O)(O)OC(=O)C(=O)CC(C)C.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -0.7 | Num_rotatable_bonds: | 8 |
| MolWt: | 459.35 | Num_heavy_atoms: | 31 |
| TPSA: | 209.21 | NumAromaticRings: | 2 |
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 |
AD24609
Formula: C7H13O6P
Smiles:
COP(=O)(O)OC(=O)C(=O)CC(C)C| HBA: | 6 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.71 |
| AlogP: | 0.89 | Num_rotatable_bonds: | 5 |
| MolWt: | 224.15 | Num_heavy_atoms: | 14 |
| TPSA: | 89.9 | NumAromaticRings: | 0 |
