Glycoside
GD084983
Name:
NoneFormula:
C19H29O6N2SSmiles:
C[NH+](C)[C@H]1C[C@@H](C(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc2)C1Aglycone:
C[NH+](C)C1CC(C(=O)Nc2ccc(S)cc2)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.63 |
| AlogP: | -1.56 | Num_rotatable_bonds: | 6 |
| MolWt: | 413.52 | Num_heavy_atoms: | 28 |
| TPSA: | 123.69 | NumAromaticRings: | 1 |
Unique Aglycone
AD38034
Formula: C13H19ON2S
Smiles:
C[NH+](C)C1CC(C(=O)Nc2ccc(S)cc2)C1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.46 |
| AlogP: | 0.84 | Num_rotatable_bonds: | 3 |
| MolWt: | 251.38 | Num_heavy_atoms: | 17 |
| TPSA: | 33.54 | NumAromaticRings: | 1 |
