Glycoside
GD039248
Name:
1-(5-Phospho-Beta-D-Ribosyl)-5-[(5-Phospho-Beta-D-Ribosylamino)Methylideneamino]Imidazole-4-CarboxamideFormula:
C15H25O15N5P2Smiles:
NC(=O)c1ncn([C@H]2O[C@H](COP(=O)(O)O)[C@H](O)[C@@H]2O)c1N=CN[C@H]1O[C@H](COP(=O)(O)O)[C@H](O)[C@@H]1OAglycone:
COP(=O)(O)O.COP(=O)(O)O.NC=NC1=C(C(N)=O)N=C[N]1Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.67 |
| AlogP: | -4.48 | Num_rotatable_bonds: | 11 |
| MolWt: | 577.33 | Num_heavy_atoms: | 37 |
| TPSA: | 318.2 | 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 |
AD24317
Formula: C5H6ON5
Smiles:
NC=NC1=C(C(N)=O)N=C[N]1| HBA: | 6 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | -1.73 | Num_rotatable_bonds: | 2 |
| MolWt: | 152.14 | Num_heavy_atoms: | 11 |
| TPSA: | 107.93 | NumAromaticRings: | 0 |
