Glycoside
GD085779
Name:
NoneFormula:
C19H20O4N5FSmiles:
OC[C@H]1O[C@@H](n2cnc3c(N4CC[C@@H]4c4cccc(F)c4)ncnc32)[C@H](O)[C@@H]1OAglycone:
Fc1cccc(C2CCN2c2ncnc3c2N=C[N]3)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.42 |
| AlogP: | 0.53 | Num_rotatable_bonds: | 4 |
| MolWt: | 401.4 | Num_heavy_atoms: | 29 |
| TPSA: | 116.76 | NumAromaticRings: | 3 |
Unique Aglycone
AD38198
Formula: C14H11N5F
Smiles:
Fc1cccc(C2CCN2c2ncnc3c2N=C[N]3)c1| HBA: | 5 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.21 |
| AlogP: | 2.48 | Num_rotatable_bonds: | 2 |
| MolWt: | 268.27 | Num_heavy_atoms: | 20 |
| TPSA: | 55.48 | NumAromaticRings: | 2 |
