Glycoside
GD091357
Name:
NoneFormula:
C18H25O8NS2Smiles:
O=C1CCC(S(=O)(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)CC1Aglycone:
O=C1CCC(S(=O)(=O)Nc2ccc(S)cc2)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.61 |
| AlogP: | -0.17 | Num_rotatable_bonds: | 6 |
| MolWt: | 447.53 | Num_heavy_atoms: | 29 |
| TPSA: | 153.39 | NumAromaticRings: | 1 |
Unique Aglycone
AD39850
Formula: C12H15O3NS2
Smiles:
O=C1CCC(S(=O)(=O)Nc2ccc(S)cc2)CC1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.42 |
| AlogP: | 2.23 | Num_rotatable_bonds: | 3 |
| MolWt: | 285.39 | Num_heavy_atoms: | 18 |
| TPSA: | 63.24 | NumAromaticRings: | 1 |
