Glycoside
GD005448
Name:
NoneFormula:
C24H22O7N2F2SSmiles:
O=C(NN=Cc1ccc(-c2ccc(F)cc2F)o1)c1ccccc1S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=C(NN=Cc1ccc(-c2ccc(F)cc2F)o1)c1ccccc1SSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.25 |
| AlogP: | 1.88 | Num_rotatable_bonds: | 7 |
| MolWt: | 520.51 | Num_heavy_atoms: | 36 |
| TPSA: | 144.75 | NumAromaticRings: | 3 |
Unique Aglycone
AD04629
Formula: C18H12O2N2F2S
Smiles:
O=C(NN=Cc1ccc(-c2ccc(F)cc2F)o1)c1ccccc1S| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 4.28 | Num_rotatable_bonds: | 4 |
| MolWt: | 358.37 | Num_heavy_atoms: | 25 |
| TPSA: | 54.6 | NumAromaticRings: | 3 |
