Glycoside
GD128529
Name:
3'-L-Arginyl-AmpFormula:
C16H26O8N9PSmiles:
N=C(N)NCCCC(N)C(=O)OC1C(COP(=O)(O)O)OC(n2cnc3c(N)ncnc32)C1OAglycone:
COP(=O)(O)O.N=C(N)NCCCC(N)C(=O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.56 |
| AlogP: | -2.72 | Num_rotatable_bonds: | 10 |
| MolWt: | 503.41 | Num_heavy_atoms: | 34 |
| TPSA: | 280.06 | 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 |
AD24217
Formula: C6H14O2N4
Smiles:
N=C(N)NCCCC(N)C(=O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 7 | FractionCSP3: | 0.67 |
| AlogP: | -1.34 | Num_rotatable_bonds: | 5 |
| MolWt: | 174.2 | Num_heavy_atoms: | 12 |
| TPSA: | 125.22 | NumAromaticRings: | 0 |
