Glycoside
GD038517
Name:
5'-o-[(s)-{[(5s)-5-amino-6-oxohexyl]amino}(hydroxy)phosphoryl]adenosineFormula:
C16H26O7N7PSmiles:
Nc1ncnc2c1ncn2[C@H]1O[C@H](CO[P@@](=O)(O)NCCCC[C@@H](N)C=O)[C@H](O)[C@@H]1OAglycone:
COP(=O)(O)NCCCCC(N)C=O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.62 |
| AlogP: | -1.57 | Num_rotatable_bonds: | 11 |
| MolWt: | 459.4 | Num_heavy_atoms: | 31 |
| TPSA: | 220.96 | 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 |
AD24045
Formula: C7H17O4N2P
Smiles:
COP(=O)(O)NCCCCC(N)C=O| HBA: | 6 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 0.02 | Num_rotatable_bonds: | 8 |
| MolWt: | 224.2 | Num_heavy_atoms: | 14 |
| TPSA: | 101.65 | NumAromaticRings: | 0 |
