Glycoside
GD131205
Name:
3'-L-Glutamyl-AmpFormula:
C15H21O10N6PSmiles:
Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(OC(=O)C(N)CCC(=O)O)C1OAglycone:
COP(=O)(O)O.NC(CCC(=O)O)C(=O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.53 |
| AlogP: | -2.12 | Num_rotatable_bonds: | 9 |
| MolWt: | 476.34 | Num_heavy_atoms: | 32 |
| 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 |
AD08834
Formula: C5H9O4N
Smiles:
NC(CCC(=O)O)C(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.6 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 4 |
| MolWt: | 147.13 | Num_heavy_atoms: | 10 |
| TPSA: | 100.62 | NumAromaticRings: | 0 |
