Glycoside
GD153911
Name:
3'-L-Aspartyl-AmpFormula:
C14H19O10N6PSmiles:
Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(OC(=O)C(N)CC(=O)O)C1OAglycone:
COP(=O)(O)O.NC(CC(=O)O)C(=O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | -2.51 | Num_rotatable_bonds: | 8 |
| MolWt: | 462.31 | Num_heavy_atoms: | 31 |
| TPSA: | 255.46 | 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 |
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD61176
Formula: C4H7O4N
Smiles:
NC(CC(=O)O)C(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -1.13 | Num_rotatable_bonds: | 3 |
| MolWt: | 133.1 | Num_heavy_atoms: | 9 |
| TPSA: | 100.62 | NumAromaticRings: | 0 |
