Glycoside
GD038109
Name:
5'-{[(3s)-3-amino-3-carboxypropyl][3-(dimethylamino)propyl]amino}-5'-deoxyadenosineFormula:
C19H32O5N8Smiles:
CN(C)CCCN(CC[C@@H](N)C(=O)O)C[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OAglycone:
CN(C)CCCN(C)CCC(N)C(=O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.68 |
| AlogP: | -1.92 | Num_rotatable_bonds: | 11 |
| MolWt: | 452.52 | Num_heavy_atoms: | 32 |
| TPSA: | 189.11 | 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 |
AD23859
Formula: C10H23O2N3
Smiles:
CN(C)CCCN(C)CCC(N)C(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 8 |
| MolWt: | 217.31 | Num_heavy_atoms: | 15 |
| TPSA: | 69.8 | NumAromaticRings: | 0 |
