Glycoside
GD033001
Name:
NoneFormula:
C15H17O4N5F4Smiles:
C[C@@H]1O[C@H](n2cnc3c(N)nc(OCC4CC(F)(F)C4(F)F)nc32)[C@H](O)[C@H]1OAglycone:
Nc1nc(OCC2CC(F)(F)C2(F)F)nc2c1N=C[N]2Sugarmoiety:
CC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | 0.72 | Num_rotatable_bonds: | 4 |
| MolWt: | 407.32 | Num_heavy_atoms: | 28 |
| TPSA: | 128.54 | NumAromaticRings: | 2 |
Unique Aglycone
AD21097
Formula: C10H8ON5F4
Smiles:
Nc1nc(OCC2CC(F)(F)C2(F)F)nc2c1N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 3 |
| MolWt: | 290.2 | Num_heavy_atoms: | 20 |
| TPSA: | 87.49 | NumAromaticRings: | 1 |
