Glycoside
GD030400
Name:
NoneFormula:
C12H12O5N3F3Smiles:
O=c1[nH]cnc2c1c(C(F)(F)F)cn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
O=c1[nH]cnc2c1C(C(F)(F)F)=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 2 |
| MolWt: | 335.24 | Num_heavy_atoms: | 23 |
| TPSA: | 120.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD19672
Formula: C7H3ON3F3
Smiles:
O=c1[nH]cnc2c1C(C(F)(F)F)=C[N]2| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 0.92 | Num_rotatable_bonds: | 0 |
| MolWt: | 202.11 | Num_heavy_atoms: | 14 |
| TPSA: | 59.85 | NumAromaticRings: | 1 |
