Glycoside
GD038135
Name:
5'-{[(3s)-3-amino-3-carboxypropyl](3-bromo-2-oxopropyl)amino}-5'-deoxyadenosineFormula:
C17H24O6N7BrSmiles:
Nc1ncnc2c1ncn2[C@H]1O[C@H](CN(CC[C@@H](N)C(=O)O)CC(=O)CBr)[C@H](O)[C@@H]1OAglycone:
CN(CCC(N)C(=O)O)CC(=O)CBr.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.59 |
| AlogP: | -1.9 | Num_rotatable_bonds: | 10 |
| MolWt: | 502.33 | Num_heavy_atoms: | 31 |
| TPSA: | 202.94 | 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 |
AD23869
Formula: C8H15O3N2Br
Smiles:
CN(CCC(N)C(=O)O)CC(=O)CBr| HBA: | 5 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.75 |
| AlogP: | -0.32 | Num_rotatable_bonds: | 7 |
| MolWt: | 267.12 | Num_heavy_atoms: | 14 |
| TPSA: | 83.63 | NumAromaticRings: | 0 |
