Glycoside
GD100925
Name:
NoneFormula:
C22H25O8NSSmiles:
COC(=O)c1ccc(C(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc2)c(C)c1Aglycone:
COC(=O)c1ccc(C(=O)Nc2ccc(S)cc2)c(C)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.36 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 6 |
| MolWt: | 463.51 | Num_heavy_atoms: | 32 |
| TPSA: | 145.55 | NumAromaticRings: | 2 |
Unique Aglycone
AD42647
Formula: C16H15O3NS
Smiles:
COC(=O)c1ccc(C(=O)Nc2ccc(S)cc2)c(C)c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 3.32 | Num_rotatable_bonds: | 3 |
| MolWt: | 301.37 | Num_heavy_atoms: | 21 |
| TPSA: | 55.4 | NumAromaticRings: | 2 |
