Glycoside
GD078504
Name:
NoneFormula:
C18H25O7NSSmiles:
CC(C)CC(=O)C(=O)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1Aglycone:
CC(C)CC(=O)C(=O)Nc1ccc(S)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | 0.13 | Num_rotatable_bonds: | 7 |
| MolWt: | 399.47 | Num_heavy_atoms: | 27 |
| TPSA: | 136.32 | NumAromaticRings: | 1 |
Unique Aglycone
AD36054
Formula: C12H15O2NS
Smiles:
CC(C)CC(=O)C(=O)Nc1ccc(S)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 2.53 | Num_rotatable_bonds: | 4 |
| MolWt: | 237.32 | Num_heavy_atoms: | 16 |
| TPSA: | 46.17 | NumAromaticRings: | 1 |
