Glycoside
GD038137
Name:
5'-{[(3s)-3-amino-3-carboxypropyl](3-carbamimidamidopropyl)amino}-5'-deoxyadenosineFormula:
C18H30O5N10Smiles:
N=C(N)NCCCN(CC[C@@H](N)C(=O)O)C[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OAglycone:
CN(CCCNC(=N)N)CCC(N)C(=O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.61 |
| AlogP: | -3.0 | Num_rotatable_bonds: | 11 |
| MolWt: | 466.5 | Num_heavy_atoms: | 33 |
| TPSA: | 247.77 | 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 |
AD06247
Formula: C9H21O2N5
Smiles:
CN(CCCNC(=N)N)CCC(N)C(=O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 7 | FractionCSP3: | 0.78 |
| AlogP: | -1.41 | Num_rotatable_bonds: | 8 |
| MolWt: | 231.3 | Num_heavy_atoms: | 16 |
| TPSA: | 128.46 | NumAromaticRings: | 0 |
