Glycoside
GD084229
Name:
NoneFormula:
C18H23O8NSSmiles:
C[C@@H]1C(=O)OC[C@@H]1C(=O)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1Aglycone:
CC1C(=O)OCC1C(=O)Nc1ccc(S)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -0.67 | Num_rotatable_bonds: | 5 |
| MolWt: | 413.45 | Num_heavy_atoms: | 28 |
| TPSA: | 145.55 | NumAromaticRings: | 1 |
Unique Aglycone
AD37594
Formula: C12H13O3NS
Smiles:
CC1C(=O)OCC1C(=O)Nc1ccc(S)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 1.72 | Num_rotatable_bonds: | 2 |
| MolWt: | 251.31 | Num_heavy_atoms: | 17 |
| TPSA: | 55.4 | NumAromaticRings: | 1 |
