Glycoside
GD031169
Name:
NoneFormula:
C27H27O4N6F3Smiles:
OC[C@@H]1O[C@H](n2cnc3c(N4CCN(c5ccc(-c6ccc(C(F)(F)F)cc6)cc5)CC4)ncnc32)[C@H](O)[C@H]1OAglycone:
FC(F)(F)c1ccc(-c2ccc(N3CCN(c4ncnc5c4N=C[N]5)CC3)cc2)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.37 |
| AlogP: | 2.45 | Num_rotatable_bonds: | 5 |
| MolWt: | 556.55 | Num_heavy_atoms: | 40 |
| TPSA: | 120.0 | NumAromaticRings: | 4 |
Unique Aglycone
AD20100
Formula: C22H18N6F3
Smiles:
FC(F)(F)c1ccc(-c2ccc(N3CCN(c4ncnc5c4N=C[N]5)CC3)cc2)cc1| HBA: | 6 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.23 |
| AlogP: | 4.4 | Num_rotatable_bonds: | 3 |
| MolWt: | 423.42 | Num_heavy_atoms: | 31 |
| TPSA: | 58.72 | NumAromaticRings: | 3 |
