Glycoside
GD077095
Name:
NoneFormula:
C18H25O7NSSmiles:
CCC1(C(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc2)COC1Aglycone:
CCC1(C(=O)Nc2ccc(S)cc2)COC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.61 |
| AlogP: | -0.06 | Num_rotatable_bonds: | 6 |
| MolWt: | 399.47 | Num_heavy_atoms: | 27 |
| TPSA: | 128.48 | NumAromaticRings: | 1 |
Unique Aglycone
AD35409
Formula: C12H15O2NS
Smiles:
CCC1(C(=O)Nc2ccc(S)cc2)COC1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.42 |
| AlogP: | 2.34 | Num_rotatable_bonds: | 3 |
| MolWt: | 237.32 | Num_heavy_atoms: | 16 |
| TPSA: | 38.33 | NumAromaticRings: | 1 |
