Glycoside
GD040474
Name:
3-({[(4-nitrophenyl)carbamoyl]amino}methyl)-1-(5-o-phosphono-beta-d-ribofuranosyl)pyridin-1-iumFormula:
C18H22O10N4PSmiles:
O=C(NCc1ccc[n+]([C@H]2O[C@H](COP(=O)(O)O)[C@H](O)[C@@H]2O)c1)Nc1ccc([N+](=O)[O-])cc1Aglycone:
COP(=O)(O)O.O=C(NCc1ccc[nH+]c1)Nc1ccc([N+](=O)[O-])cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | -0.07 | Num_rotatable_bonds: | 8 |
| MolWt: | 485.37 | Num_heavy_atoms: | 33 |
| TPSA: | 204.6 | NumAromaticRings: | 2 |
Unique Aglycone
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 |
AD24789
Formula: C13H13O3N4
Smiles:
O=C(NCc1ccc[nH+]c1)Nc1ccc([N+](=O)[O-])cc1| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.08 |
| AlogP: | 1.73 | Num_rotatable_bonds: | 4 |
| MolWt: | 273.27 | Num_heavy_atoms: | 20 |
| TPSA: | 98.41 | NumAromaticRings: | 2 |
