Glycoside
GD007290
Name:
4-({2,4-dihydroxy-6-[(2,3,4,5-tetrahydroxypentyl)amino]pyrimidin-5-yl}carbamoyl)benzene-1-sulfonyl fluorideFormula:
C16H19O9N4FSSmiles:
O=C(Nc1c(O)nc(O)nc1NC[C@H](O)[C@H](O)[C@H](O)CO)c1ccc(S(=O)(=O)F)cc1Aglycone:
CNc1nc(O)nc(O)c1NC(=O)c1ccc(S(=O)(=O)F)cc1Sugarmoiety:
OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.31 |
| AlogP: | -1.71 | Num_rotatable_bonds: | 9 |
| MolWt: | 462.41 | Num_heavy_atoms: | 31 |
| TPSA: | 222.43 | NumAromaticRings: | 2 |
Unique Aglycone
AD05945
Formula: C12H11O5N4FS
Smiles:
CNc1nc(O)nc(O)c1NC(=O)c1ccc(S(=O)(=O)F)cc1| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.08 |
| AlogP: | 0.84 | Num_rotatable_bonds: | 4 |
| MolWt: | 342.31 | Num_heavy_atoms: | 23 |
| TPSA: | 141.51 | NumAromaticRings: | 2 |
