Glycoside
GD021545
Name:
NoneFormula:
C18H13O3N5F3BrSmiles:
C#C[C@@H]1O[C@H](n2cnc3c(Nc4cc(Br)cc(C(F)(F)F)c4)ncnc32)[C@H](O)[C@H]1OAglycone:
FC(F)(F)c1cc(Br)cc(Nc2ncnc3c2N=C[N]3)c1Sugarmoiety:
C#CC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.28 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 3 |
| MolWt: | 484.23 | Num_heavy_atoms: | 30 |
| TPSA: | 105.32 | NumAromaticRings: | 3 |
Unique Aglycone
AD14722
Formula: C12H6N5F3Br
Smiles:
FC(F)(F)c1cc(Br)cc(Nc2ncnc3c2N=C[N]3)c1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 3.91 | Num_rotatable_bonds: | 2 |
| MolWt: | 357.11 | Num_heavy_atoms: | 21 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
