Glycoside
GD032711
Name:
NoneFormula:
C28H30O5N7F3SSmiles:
Cc1ccc(S(=O)(=O)NC[C@@H]2O[C@H](n3cnc4c(N5CCN(c6ccc(C(F)(F)F)cc6)CC5)ncnc43)[C@H](O)[C@H]2O)cc1Aglycone:
CNS(=O)(=O)c1ccc(C)cc1.FC(F)(F)c1ccc(N2CCN(c3ncnc4c3N=C[N]4)CC2)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.39 |
| AlogP: | 2.08 | Num_rotatable_bonds: | 7 |
| MolWt: | 633.65 | Num_heavy_atoms: | 44 |
| TPSA: | 145.94 | NumAromaticRings: | 4 |
Unique Aglycone
AD08435
Formula: C8H11O2NS
Smiles:
CNS(=O)(=O)c1ccc(C)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 0.9 | Num_rotatable_bonds: | 2 |
| MolWt: | 185.25 | Num_heavy_atoms: | 12 |
| TPSA: | 46.17 | NumAromaticRings: | 1 |
AD15104
Formula: C16H14N6F3
Smiles:
FC(F)(F)c1ccc(N2CCN(c3ncnc4c3N=C[N]4)CC2)cc1| HBA: | 6 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.31 |
| AlogP: | 2.73 | Num_rotatable_bonds: | 2 |
| MolWt: | 347.32 | Num_heavy_atoms: | 25 |
| TPSA: | 58.72 | NumAromaticRings: | 2 |
