Glycoside
GD103324
Name:
NoneFormula:
C22H25O8NSSmiles:
O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc1)[C@H]1CCOc2ccccc2O1Aglycone:
O=C(Nc1ccc(S)cc1)C1CCOc2ccccc2O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 5 |
| MolWt: | 463.51 | Num_heavy_atoms: | 32 |
| TPSA: | 137.71 | NumAromaticRings: | 2 |
Unique Aglycone
AD43732
Formula: C16H15O3NS
Smiles:
O=C(Nc1ccc(S)cc1)C1CCOc2ccccc2O1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.19 |
| AlogP: | 3.14 | Num_rotatable_bonds: | 2 |
| MolWt: | 301.37 | Num_heavy_atoms: | 21 |
| TPSA: | 47.56 | NumAromaticRings: | 2 |
