Glycoside
GD017222
Name:
NoneFormula:
C19H20O4N5F3Smiles:
OC[C@@H]1OC(n2cnc3c(NCCc4cccc(C(F)(F)F)c4)ncnc32)[C@H](O)[C@H]1OAglycone:
FC(F)(F)c1cccc(CCNc2ncnc3c2N=C[N]3)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.42 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 6 |
| MolWt: | 439.39 | Num_heavy_atoms: | 31 |
| TPSA: | 125.55 | NumAromaticRings: | 3 |
Unique Aglycone
AD12316
Formula: C14H11N5F3
Smiles:
FC(F)(F)c1cccc(CCNc2ncnc3c2N=C[N]3)c1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.21 |
| AlogP: | 3.06 | Num_rotatable_bonds: | 4 |
| MolWt: | 306.27 | Num_heavy_atoms: | 22 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
