Glycoside
GD009078
Name:
NoneFormula:
C21H19O5N2F3SSmiles:
O=C(NCc1cccc(C(F)(F)F)c1)c1ccc2sc([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)nc2c1Aglycone:
O=C(NCc1cccc(C(F)(F)F)c1)c1ccc2scnc2c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 2.4 | Num_rotatable_bonds: | 5 |
| MolWt: | 468.45 | Num_heavy_atoms: | 32 |
| TPSA: | 111.91 | NumAromaticRings: | 3 |
Unique Aglycone
AD07162
Formula: C16H11ON2F3S
Smiles:
O=C(NCc1cccc(C(F)(F)F)c1)c1ccc2scnc2c1| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 4.25 | Num_rotatable_bonds: | 3 |
| MolWt: | 336.34 | Num_heavy_atoms: | 23 |
| TPSA: | 41.99 | NumAromaticRings: | 3 |
