Glycoside
GD101874
Name:
NoneFormula:
C21H25O8NSSmiles:
COCOc1ccc(C(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)cc2)cc1Aglycone:
COCOc1ccc(C(=O)Nc2ccc(S)cc2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 0.81 | Num_rotatable_bonds: | 8 |
| MolWt: | 451.5 | Num_heavy_atoms: | 31 |
| TPSA: | 137.71 | NumAromaticRings: | 2 |
Unique Aglycone
AD43132
Formula: C15H15O3NS
Smiles:
COCOc1ccc(C(=O)Nc2ccc(S)cc2)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.13 |
| AlogP: | 3.21 | Num_rotatable_bonds: | 5 |
| MolWt: | 289.36 | Num_heavy_atoms: | 20 |
| TPSA: | 47.56 | NumAromaticRings: | 2 |
