Glycoside
GD021207
Name:
NoneFormula:
C17H22O4N5F3Smiles:
C[C@@H]1O[C@H](n2cnc3c(N)nc(O[C@H]4CC[C@@H](C(F)(F)F)CC4)nc32)[C@H](O)[C@H]1OAglycone:
Nc1nc(OC2CCC(C(F)(F)F)CC2)nc2c1N=C[N]2Sugarmoiety:
CC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 3 |
| MolWt: | 417.39 | Num_heavy_atoms: | 29 |
| TPSA: | 128.54 | NumAromaticRings: | 2 |
Unique Aglycone
AD14528
Formula: C12H13ON5F3
Smiles:
Nc1nc(OC2CCC(C(F)(F)F)CC2)nc2c1N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.58 |
| AlogP: | 2.47 | Num_rotatable_bonds: | 2 |
| MolWt: | 300.26 | Num_heavy_atoms: | 21 |
| TPSA: | 87.49 | NumAromaticRings: | 1 |
