Glycoside
GD032540
Name:
NoneFormula:
C22H22O8NClSSmiles:
O=C(O[C@H]1O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@H]1O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1Aglycone:
O=C(O)C(c1ccccc1Cl)N1CCc2sccc2C1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 5 |
| MolWt: | 483.93 | Num_heavy_atoms: | 32 |
| TPSA: | 136.76 | NumAromaticRings: | 2 |
Unique Aglycone
AD20862
Formula: C16H14O2NClS
Smiles:
O=C(O)C(c1ccccc1Cl)N1CCc2sccc2C1| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.27 |
| AlogP: | 3.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 307.8 | Num_heavy_atoms: | 20 |
| TPSA: | 40.54 | NumAromaticRings: | 2 |
