Glycoside
GD038133
Name:
5'-{[(3s)-3-amino-3-carboxypropyl][(1h-imidazol-4-yl)methyl]amino}-5'-deoxyadenosineFormula:
C18H25O5N9Smiles:
Nc1ncnc2c1ncn2[C@H]1O[C@H](CN(CC[C@@H](N)C(=O)O)Cc2c[nH]cn2)[C@@H](O)[C@H]1OAglycone:
CN(CCC(N)C(=O)O)Cc1c[nH]cn1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | -1.94 | Num_rotatable_bonds: | 9 |
| MolWt: | 447.46 | Num_heavy_atoms: | 32 |
| TPSA: | 214.55 | 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 |
AD23867
Formula: C9H16O2N4
Smiles:
CN(CCC(N)C(=O)O)Cc1c[nH]cn1| HBA: | 6 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | -0.36 | Num_rotatable_bonds: | 6 |
| MolWt: | 212.25 | Num_heavy_atoms: | 15 |
| TPSA: | 95.24 | NumAromaticRings: | 1 |
