Glycoside
GD083322
Name:
NoneFormula:
C19H29O6N2SSmiles:
CC(C)[N@@H+]1CC[C@H]1C(=O)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1Aglycone:
CC(C)[NH+]1CCC1C(=O)Nc1ccc(S)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.63 |
| AlogP: | -1.42 | Num_rotatable_bonds: | 6 |
| MolWt: | 413.52 | Num_heavy_atoms: | 28 |
| TPSA: | 123.69 | NumAromaticRings: | 1 |
Unique Aglycone
AD37208
Formula: C13H19ON2S
Smiles:
CC(C)[NH+]1CCC1C(=O)Nc1ccc(S)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.46 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 3 |
| MolWt: | 251.38 | Num_heavy_atoms: | 17 |
| TPSA: | 33.54 | NumAromaticRings: | 1 |
