Glycoside
GD100325
Name:
NoneFormula:
C21H25O9NS2Smiles:
COC(=O)c1cccc(C)c1S(=O)(=O)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1Aglycone:
COC(=O)c1cccc(C)c1S(=O)(=O)Nc1ccc(S)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 0.47 | Num_rotatable_bonds: | 7 |
| MolWt: | 499.56 | Num_heavy_atoms: | 33 |
| TPSA: | 162.62 | NumAromaticRings: | 2 |
Unique Aglycone
AD42392
Formula: C15H15O4NS2
Smiles:
COC(=O)c1cccc(C)c1S(=O)(=O)Nc1ccc(S)cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.13 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 4 |
| MolWt: | 337.42 | Num_heavy_atoms: | 22 |
| TPSA: | 72.47 | NumAromaticRings: | 2 |
