Glycoside
GD101974
Name:
NoneFormula:
C22H25O6N2ClSSmiles:
O=C(N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1Aglycone:
NC(=O)C(c1ccccc1Cl)N1CCc2sccc2C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | 0.42 | Num_rotatable_bonds: | 5 |
| MolWt: | 468.96 | Num_heavy_atoms: | 31 |
| TPSA: | 122.49 | NumAromaticRings: | 2 |
Unique Aglycone
AD43174
Formula: C16H15ON2ClS
Smiles:
NC(=O)C(c1ccccc1Cl)N1CCc2sccc2C1| HBA: | 3 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.27 |
| AlogP: | 2.99 | Num_rotatable_bonds: | 3 |
| MolWt: | 306.82 | Num_heavy_atoms: | 20 |
| TPSA: | 46.33 | NumAromaticRings: | 2 |
