Glycoside
GD102215
Name:
NoneFormula:
C22H25O8NS2Smiles:
O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc1)c1ccc(S(=O)(=O)C2CC2)cc1Aglycone:
O=C(Nc1ccc(S)cc1)c1ccc(S(=O)(=O)C2CC2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 7 |
| MolWt: | 495.58 | Num_heavy_atoms: | 33 |
| TPSA: | 153.39 | NumAromaticRings: | 2 |
Unique Aglycone
AD43258
Formula: C16H15O3NS2
Smiles:
O=C(Nc1ccc(S)cc1)c1ccc(S(=O)(=O)C2CC2)cc1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.19 |
| AlogP: | 3.16 | Num_rotatable_bonds: | 4 |
| MolWt: | 333.43 | Num_heavy_atoms: | 22 |
| TPSA: | 63.24 | NumAromaticRings: | 2 |
