Glycoside
GD038141
Name:
5'-{[(3s)-3-amino-3-carboxypropyl](3-aminopropyl)amino}-5'-deoxyadenosineFormula:
C17H28O5N8Smiles:
NCCCN(CC[C@@H](N)C(=O)O)C[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1OAglycone:
CN(CCCN)CCC(N)C(=O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.65 |
| AlogP: | -2.52 | Num_rotatable_bonds: | 10 |
| MolWt: | 424.46 | Num_heavy_atoms: | 30 |
| TPSA: | 211.89 | 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 |
AD20101
Formula: C8H19O2N3
Smiles:
CN(CCCN)CCC(N)C(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.88 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 7 |
| MolWt: | 189.26 | Num_heavy_atoms: | 13 |
| TPSA: | 92.58 | NumAromaticRings: | 0 |
