Glycoside
GD039885
Name:
9-(5-{[(3s)-3-amino-3-carboxypropyl](pentyl)amino}-5-deoxy-beta-l-arabinofuranosyl)-9h-purin-6-amineFormula:
C19H31O5N7Smiles:
CCCCCN(CC[C@@H](N)C(=O)O)C[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OAglycone:
CCCCCN(C)CCC(N)C(=O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.68 |
| AlogP: | -0.68 | Num_rotatable_bonds: | 11 |
| MolWt: | 437.5 | Num_heavy_atoms: | 31 |
| TPSA: | 185.87 | 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 |
AD24573
Formula: C10H22O2N2
Smiles:
CCCCCN(C)CCC(N)C(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 8 |
| MolWt: | 202.3 | Num_heavy_atoms: | 14 |
| TPSA: | 66.56 | NumAromaticRings: | 0 |
