Glycoside
GD038254
Name:
5'-o-[(r)-[(n-acetyl-l-alpha-aspartyl)amino](3-aminopropoxy)phosphoryl]adenosineFormula:
C19H29O10N8PSmiles:
CC(=O)N[C@H](CC(=O)O)C(=O)N[P@@](=O)(OCCCN)OC[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OAglycone:
COP(=O)(NC(=O)C(CC(=O)O)NC(C)=O)OCCCN.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.58 |
| AlogP: | -2.39 | Num_rotatable_bonds: | 13 |
| MolWt: | 560.46 | Num_heavy_atoms: | 38 |
| TPSA: | 276.36 | 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 |
AD23933
Formula: C10H20O7N3P
Smiles:
COP(=O)(NC(=O)C(CC(=O)O)NC(C)=O)OCCCN| HBA: | 10 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.7 |
| AlogP: | -0.8 | Num_rotatable_bonds: | 10 |
| MolWt: | 325.26 | Num_heavy_atoms: | 21 |
| TPSA: | 157.05 | NumAromaticRings: | 0 |
