Glycoside
GD022153
Name:
NoneFormula:
C20H20O4N5F3Smiles:
OC[C@@H]1O[C@H](n2cnc3c(N[C@@H]4C[C@H]4c4cccc(C(F)(F)F)c4)ncnc32)[C@H](O)[C@H]1OAglycone:
FC(F)(F)c1cccc(C2CC2Nc2ncnc3c2N=C[N]3)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | 1.42 | Num_rotatable_bonds: | 5 |
| MolWt: | 451.41 | Num_heavy_atoms: | 32 |
| TPSA: | 125.55 | NumAromaticRings: | 3 |
Unique Aglycone
AD15055
Formula: C15H11N5F3
Smiles:
FC(F)(F)c1cccc(C2CC2Nc2ncnc3c2N=C[N]3)c1| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.27 |
| AlogP: | 3.37 | Num_rotatable_bonds: | 3 |
| MolWt: | 318.28 | Num_heavy_atoms: | 23 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
