Glycoside
GD085209
Name:
NoneFormula:
C18H25O8NSSmiles:
C=CCC1(S(=O)(=O)Nc2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc2)CC1Aglycone:
C=CCC1(S(=O)(=O)Nc2ccc(O)cc2)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 8 |
| MolWt: | 415.46 | Num_heavy_atoms: | 28 |
| TPSA: | 145.55 | NumAromaticRings: | 1 |
Unique Aglycone
AD38119
Formula: C12H15O3NS
Smiles:
C=CCC1(S(=O)(=O)Nc2ccc(O)cc2)CC1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 2.24 | Num_rotatable_bonds: | 5 |
| MolWt: | 253.32 | Num_heavy_atoms: | 17 |
| TPSA: | 66.4 | NumAromaticRings: | 1 |
