Glycoside
GD040464
Name:
5'-o-({[(2r)-2-amino-6-(butanoylamino)hexanoyl]oxy}phosphinato)adenosineFormula:
C20H32O9N7PSmiles:
CCCC(=O)NCCCC[C@@H](N)C(=O)OP(=O)(O)OC[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OAglycone:
CCCC(=O)NCCCCC(N)C(=O)OP(=O)(O)OC.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.65 |
| AlogP: | -0.9 | Num_rotatable_bonds: | 13 |
| MolWt: | 545.49 | Num_heavy_atoms: | 37 |
| TPSA: | 247.26 | 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 |
AD24780
Formula: C11H23O6N2P
Smiles:
CCCC(=O)NCCCCC(N)C(=O)OP(=O)(O)OC| HBA: | 8 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.82 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 10 |
| MolWt: | 310.29 | Num_heavy_atoms: | 20 |
| TPSA: | 127.95 | NumAromaticRings: | 0 |
