Glycoside
GD039738
Name:
5'-o-[(r)-{[(2s)-2-amino-4-(hydroxyamino)-4-oxobutanoyl]oxy}(hydroxy)phosphoryl]adenosineFormula:
C14H20O10N7PSmiles:
Nc1ncnc2c1ncn2[C@H]1O[C@H](CO[P@](=O)(O)OC(=O)[C@@H](N)CC(=O)NO)[C@H](O)[C@@H]1OAglycone:
COP(=O)(O)OC(=O)C(N)CC(=O)NO.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.5 |
| AlogP: | -3.09 | Num_rotatable_bonds: | 8 |
| MolWt: | 477.33 | Num_heavy_atoms: | 32 |
| TPSA: | 267.49 | 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 |
AD24522
Formula: C5H11O7N2P
Smiles:
COP(=O)(O)OC(=O)C(N)CC(=O)NO| HBA: | 9 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | -1.5 | Num_rotatable_bonds: | 5 |
| MolWt: | 242.12 | Num_heavy_atoms: | 15 |
| TPSA: | 148.18 | NumAromaticRings: | 0 |
