Glycoside
GD026426
Name:
NoneFormula:
C22H25O3N10F3Smiles:
CCn1nnc([C@@H]2O[C@H](n3cnc4c(N)nc(NC(C)Cc5ccc(C(F)(F)F)cc5)nc43)[C@H](O)[C@H]2O)n1Aglycone:
CC(Cc1ccc(C(F)(F)F)cc1)Nc1nc(N)c2c(n1)[N]C=N2.CCn1ncnn1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 7 |
| MolWt: | 534.5 | Num_heavy_atoms: | 38 |
| TPSA: | 174.94 | NumAromaticRings: | 4 |
Unique Aglycone
AD00166
Formula: C3H6N4
Smiles:
CCn1ncnn1| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | -0.31 | Num_rotatable_bonds: | 1 |
| MolWt: | 98.11 | Num_heavy_atoms: | 7 |
| TPSA: | 43.6 | NumAromaticRings: | 1 |
AD17423
Formula: C15H14N6F3
Smiles:
CC(Cc1ccc(C(F)(F)F)cc1)Nc1nc(N)c2c(n1)[N]C=N2| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.27 |
| AlogP: | 3.03 | Num_rotatable_bonds: | 4 |
| MolWt: | 335.31 | Num_heavy_atoms: | 24 |
| TPSA: | 90.29 | NumAromaticRings: | 2 |
