Glycoside
GD038216
Name:
5'-{1-[(3s)-3-amino-3-carboxypropyl]aziridin-1-ium-1-yl}-5'-deoxyadenosineFormula:
C16H24O5N7Smiles:
Nc1ncnc2c1ncn2[C@H]1O[C@H](C[N+]2(CC[C@@H](N)C(=O)O)CC2)[C@H](O)[C@@H]1OAglycone:
C[N+]1(CCC(N)C(=O)O)CC1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.62 |
| AlogP: | -2.34 | Num_rotatable_bonds: | 7 |
| MolWt: | 394.41 | Num_heavy_atoms: | 28 |
| TPSA: | 182.63 | 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 |
AD23908
Formula: C7H15O2N2
Smiles:
C[N+]1(CCC(N)C(=O)O)CC1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | -0.75 | Num_rotatable_bonds: | 4 |
| MolWt: | 159.21 | Num_heavy_atoms: | 11 |
| TPSA: | 63.32 | NumAromaticRings: | 0 |
