Glycoside
GD028310
Name:
NoneFormula:
C26H26O4N7F3Smiles:
OC[C@@H]1O[C@H](n2cnc3c(N4CCN(c5ccc(-c6ccc(C(F)(F)F)nc6)cc5)CC4)ncnc32)[C@H](O)[C@H]1OAglycone:
FC(F)(F)c1ccc(-c2ccc(N3CCN(c4ncnc5c4N=C[N]5)CC3)cc2)cn1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | 1.85 | Num_rotatable_bonds: | 5 |
| MolWt: | 557.53 | Num_heavy_atoms: | 40 |
| TPSA: | 132.89 | NumAromaticRings: | 4 |
Unique Aglycone
AD18516
Formula: C21H17N7F3
Smiles:
FC(F)(F)c1ccc(-c2ccc(N3CCN(c4ncnc5c4N=C[N]5)CC3)cc2)cn1| HBA: | 7 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.24 |
| AlogP: | 3.79 | Num_rotatable_bonds: | 3 |
| MolWt: | 424.41 | Num_heavy_atoms: | 31 |
| TPSA: | 71.61 | NumAromaticRings: | 3 |
