Glycoside
GD038541
Name:
5'-deoxy-5'-[(3-{[(4-methylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]adenosineFormula:
C24H34O4N8Smiles:
Cc1ccc(NC(=O)NCCCN(C[C@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)C(C)C)cc1Aglycone:
Cc1ccc(NC(=O)NCCCN(C)C(C)C)cc1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | 1.26 | Num_rotatable_bonds: | 9 |
| MolWt: | 498.59 | Num_heavy_atoms: | 36 |
| TPSA: | 163.68 | 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 |
AD21231
Formula: C15H25ON3
Smiles:
Cc1ccc(NC(=O)NCCCN(C)C(C)C)cc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.53 |
| AlogP: | 2.85 | Num_rotatable_bonds: | 6 |
| MolWt: | 263.38 | Num_heavy_atoms: | 19 |
| TPSA: | 44.37 | NumAromaticRings: | 1 |
