Glycoside
GD006789
Name:
NoneFormula:
C16H23O7NS2Smiles:
C[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(C#CC(C)(C)O)s2)[C@H](O)[C@H](O)[C@H]1OAglycone:
CNS(=O)(=O)c1ccc(C#CC(C)(C)O)s1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -0.98 | Num_rotatable_bonds: | 4 |
| MolWt: | 405.49 | Num_heavy_atoms: | 26 |
| TPSA: | 136.32 | NumAromaticRings: | 1 |
Unique Aglycone
AD05582
Formula: C10H13O3NS2
Smiles:
CNS(=O)(=O)c1ccc(C#CC(C)(C)O)s1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 2 |
| MolWt: | 259.35 | Num_heavy_atoms: | 16 |
| TPSA: | 66.4 | NumAromaticRings: | 1 |
