Glycoside
GD108691
Name:
NoneFormula:
C15H11O6N2F13Smiles:
O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)FAglycone:
O=c1[nH]cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(=O)[nH]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.73 |
| AlogP: | 1.34 | Num_rotatable_bonds: | 7 |
| MolWt: | 562.24 | Num_heavy_atoms: | 36 |
| TPSA: | 124.78 | NumAromaticRings: | 1 |
Unique Aglycone
AD44465
Formula: C10H3O2N2F13
Smiles:
O=c1[nH]cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | 3.26 | Num_rotatable_bonds: | 5 |
| MolWt: | 430.12 | Num_heavy_atoms: | 27 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
