Glycoside
GD024753
Name:
NoneFormula:
C28H31O11N2FSSmiles:
CS(=O)(=O)NCC#CN1C(=O)[C@H](CC[C@H](O)c2ccc(F)cc2)[C@H]1c1ccc(O[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]2O)cc1Aglycone:
CS(=O)(=O)NCC#CN1C(=O)C(CCC(O)c2ccc(F)cc2)C1c1ccc(O)cc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.43 |
| AlogP: | -0.38 | Num_rotatable_bonds: | 10 |
| MolWt: | 622.62 | Num_heavy_atoms: | 43 |
| TPSA: | 203.16 | NumAromaticRings: | 2 |
Unique Aglycone
AD16493
Formula: C22H23O5N2FS
Smiles:
CS(=O)(=O)NCC#CN1C(=O)C(CCC(O)c2ccc(F)cc2)C1c1ccc(O)cc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.32 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 7 |
| MolWt: | 446.5 | Num_heavy_atoms: | 31 |
| TPSA: | 106.94 | NumAromaticRings: | 2 |
