Glycoside
GD090923
Name:
NoneFormula:
C21H25O7NSSmiles:
O=C(C[S@@](=O)C(c1ccccc1)c1ccccc1)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
NC(=O)CS(=O)C(c1ccccc1)c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | -0.56 | Num_rotatable_bonds: | 7 |
| MolWt: | 435.5 | Num_heavy_atoms: | 30 |
| TPSA: | 136.32 | NumAromaticRings: | 2 |
Unique Aglycone
AD39587
Formula: C15H15O2NS
Smiles:
NC(=O)CS(=O)C(c1ccccc1)c1ccccc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.13 |
| AlogP: | 2.01 | Num_rotatable_bonds: | 5 |
| MolWt: | 273.36 | Num_heavy_atoms: | 19 |
| TPSA: | 60.16 | NumAromaticRings: | 2 |
