Glycoside

GD006154
Name:
NoneFormula:
C21H23O5N6F3SSmiles:
Nc1ncnc2c1nc(SCC(=O)NCCc1ccc(C(F)(F)F)cc1)n2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
Nc1ncnc2c1N=C(SCC(=O)NCCc1ccc(C(F)(F)F)cc1)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
HBA: | 11 | RingCount: | 4 |
HBD: | 6 | FractionCSP3: | 0.43 |
AlogP: | 0.49 | Num_rotatable_bonds: | 8 |
MolWt: | 528.51 | Num_heavy_atoms: | 36 |
TPSA: | 168.64 | NumAromaticRings: | 3 |
Unique Aglycone
AD05118
Formula: C16H14ON6F3S
Smiles:
Nc1ncnc2c1N=C(SCC(=O)NCCc1ccc(C(F)(F)F)cc1)[N]2HBA: | 7 | RingCount: | 3 |
HBD: | 3 | FractionCSP3: | 0.25 |
AlogP: | 2.41 | Num_rotatable_bonds: | 5 |
MolWt: | 395.39 | Num_heavy_atoms: | 27 |
TPSA: | 107.36 | NumAromaticRings: | 2 |