Glycoside
GD129049
Name:
5-Carboxyamino-1-(5-Phospho-D-Ribosyl)ImidazoleFormula:
C9H14O9N3PSmiles:
O=C(O)Nc1cncn1C1OC(COP(=O)(O)O)C(O)C1OAglycone:
COP(=O)(O)O.O=C(O)NC1=CN=C[N]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | -1.3 | Num_rotatable_bonds: | 5 |
| MolWt: | 339.2 | Num_heavy_atoms: | 22 |
| TPSA: | 183.6 | NumAromaticRings: | 1 |
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 |
AD52271
Formula: C4H4O2N3
Smiles:
O=C(O)NC1=CN=C[N]1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.3 | Num_rotatable_bonds: | 1 |
| MolWt: | 126.09 | Num_heavy_atoms: | 9 |
| TPSA: | 75.79 | NumAromaticRings: | 0 |
