Glycoside
GD021103
Name:
NoneFormula:
C17H15O5N4F3Smiles:
O=c1[nH]cnc2c1nc(-c1cccc(C(F)(F)F)c1)n2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
O=c1[nH]cnc2c1N=C(c1cccc(C(F)(F)F)c1)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 0.42 | Num_rotatable_bonds: | 3 |
| MolWt: | 412.32 | Num_heavy_atoms: | 29 |
| TPSA: | 133.49 | NumAromaticRings: | 3 |
Unique Aglycone
AD14477
Formula: C12H6ON4F3
Smiles:
O=c1[nH]cnc2c1N=C(c1cccc(C(F)(F)F)c1)[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 2.12 | Num_rotatable_bonds: | 1 |
| MolWt: | 279.2 | Num_heavy_atoms: | 20 |
| TPSA: | 72.21 | NumAromaticRings: | 2 |
