Glycoside
GD098909
Name:
NoneFormula:
C17H25O9NS2Smiles:
COC(=O)CCCS(=O)(=O)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1Aglycone:
COC(=O)CCCS(=O)(=O)Nc1ccc(S)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.59 |
| AlogP: | -0.73 | Num_rotatable_bonds: | 9 |
| MolWt: | 451.52 | Num_heavy_atoms: | 29 |
| TPSA: | 162.62 | NumAromaticRings: | 1 |
Unique Aglycone
AD42081
Formula: C11H15O4NS2
Smiles:
COC(=O)CCCS(=O)(=O)Nc1ccc(S)cc1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.36 |
| AlogP: | 1.67 | Num_rotatable_bonds: | 6 |
| MolWt: | 289.38 | Num_heavy_atoms: | 18 |
| TPSA: | 72.47 | NumAromaticRings: | 1 |
