Glycoside
GD096116
Name:
NoneFormula:
C18H27O9NS2Smiles:
CCOC(=O)C(C)(C)S(=O)(=O)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1Aglycone:
CCOC(=O)C(C)(C)S(=O)(=O)Nc1ccc(S)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.61 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 8 |
| MolWt: | 465.55 | Num_heavy_atoms: | 30 |
| TPSA: | 162.62 | NumAromaticRings: | 1 |
Unique Aglycone
AD40878
Formula: C12H17O4NS2
Smiles:
CCOC(=O)C(C)(C)S(=O)(=O)Nc1ccc(S)cc1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.42 |
| AlogP: | 2.06 | Num_rotatable_bonds: | 5 |
| MolWt: | 303.4 | Num_heavy_atoms: | 19 |
| TPSA: | 72.47 | NumAromaticRings: | 1 |
