Glycoside
GD039357
Name:
arginine-n-methylcarbonyl phosphoric acid 5'-adenosine esterFormula:
C18H28O10N9PSmiles:
N=C(N)NCCC[C@@H](NCC(=O)O[P@@](=O)(O)OC[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O)C(=O)OAglycone:
COP(=O)(O)OC(=O)CNC(CCCNC(=N)N)C(=O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.56 |
| AlogP: | -3.01 | Num_rotatable_bonds: | 13 |
| MolWt: | 561.45 | Num_heavy_atoms: | 38 |
| TPSA: | 303.37 | 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 |
AD24371
Formula: C9H19O7N4P
Smiles:
COP(=O)(O)OC(=O)CNC(CCCNC(=N)N)C(=O)O| HBA: | 11 | RingCount: | 0 |
| HBD: | 7 | FractionCSP3: | 0.67 |
| AlogP: | -1.42 | Num_rotatable_bonds: | 10 |
| MolWt: | 326.25 | Num_heavy_atoms: | 21 |
| TPSA: | 184.06 | NumAromaticRings: | 0 |
