Glycoside
GD008249
Name:
NoneFormula:
C18H18O5N2F3ClSSmiles:
OC[C@@H]1O[C@H](c2ccc(Cl)c(Cc3nnc(CC(F)(F)F)s3)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
FC(F)(F)Cc1nnc(Cc2ccccc2Cl)s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 5 |
| MolWt: | 454.85 | Num_heavy_atoms: | 29 |
| TPSA: | 115.93 | NumAromaticRings: | 2 |
Unique Aglycone
AD06610
Formula: C12H8N2F3ClS
Smiles:
FC(F)(F)Cc1nnc(Cc2ccccc2Cl)s1| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.27 |
| AlogP: | 3.89 | Num_rotatable_bonds: | 3 |
| MolWt: | 292.71 | Num_heavy_atoms: | 18 |
| TPSA: | 25.78 | NumAromaticRings: | 2 |
