Glycoside
GD085799
Name:
NoneFormula:
C17H22O4N5F3Smiles:
C[C@@H]1CC[C@H](C(F)(F)F)CN1c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
CC1CCC(C(F)(F)F)CN1c1ncnc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.71 |
| AlogP: | 0.6 | Num_rotatable_bonds: | 3 |
| MolWt: | 417.39 | Num_heavy_atoms: | 29 |
| TPSA: | 116.76 | NumAromaticRings: | 2 |
Unique Aglycone
AD38213
Formula: C12H13N5F3
Smiles:
CC1CCC(C(F)(F)F)CN1c1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.58 |
| AlogP: | 2.55 | Num_rotatable_bonds: | 1 |
| MolWt: | 284.26 | Num_heavy_atoms: | 20 |
| TPSA: | 55.48 | NumAromaticRings: | 1 |
