Glycoside
GD037747
Name:
6-({4-[(3,5-difluorophenyl)sulfonyl]benzyl}carbamoyl)-1-(5-o-phosphono-beta-d-ribofuranosyl)imidazo[1,2-a]pyridin-1-iumFormula:
C26H25O10N3F2PSSmiles:
O=C(NCc1ccc(S(=O)(=O)c2cc(F)cc(F)c2)cc1)c1ccc2n(cc[n+]2[C@H]2O[C@H](COP(=O)(O)O)[C@H](O)[C@@H]2O)c1Aglycone:
COP(=O)(O)O.O=C(NCc1ccc(S(=O)(=O)c2cc(F)cc(F)c2)cc1)c1ccc2[nH+]ccn2c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.23 |
| AlogP: | 1.0 | Num_rotatable_bonds: | 9 |
| MolWt: | 640.53 | Num_heavy_atoms: | 43 |
| TPSA: | 187.98 | NumAromaticRings: | 4 |
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 |
AD23721
Formula: C21H16O3N3F2S
Smiles:
O=C(NCc1ccc(S(=O)(=O)c2cc(F)cc(F)c2)cc1)c1ccc2[nH+]ccn2c1| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.05 |
| AlogP: | 2.79 | Num_rotatable_bonds: | 5 |
| MolWt: | 428.44 | Num_heavy_atoms: | 30 |
| TPSA: | 81.79 | NumAromaticRings: | 4 |
