Glycoside
GD102509
Name:
NoneFormula:
C19H20O7N2F2SSmiles:
O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)cc1)c1cccnc1OC(F)FAglycone:
O=C(Nc1ccc(S)cc1)c1cccnc1OC(F)FSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.37 |
| AlogP: | 0.83 | Num_rotatable_bonds: | 7 |
| MolWt: | 458.44 | Num_heavy_atoms: | 31 |
| TPSA: | 141.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD43387
Formula: C13H10O2N2F2S
Smiles:
O=C(Nc1ccc(S)cc1)c1cccnc1OC(F)F| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 3.22 | Num_rotatable_bonds: | 4 |
| MolWt: | 296.3 | Num_heavy_atoms: | 20 |
| TPSA: | 51.22 | NumAromaticRings: | 2 |
