Glycoside
GD090886
Name:
NoneFormula:
C20H29O8NSSmiles:
COCC1(C(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@H]3O)cc2)CCOCC1Aglycone:
COCC1(C(=O)Nc2ccc(S)cc2)CCOCC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.65 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 7 |
| MolWt: | 443.52 | Num_heavy_atoms: | 30 |
| TPSA: | 137.71 | NumAromaticRings: | 1 |
Unique Aglycone
AD39571
Formula: C14H19O3NS
Smiles:
COCC1(C(=O)Nc2ccc(S)cc2)CCOCC1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 2.36 | Num_rotatable_bonds: | 4 |
| MolWt: | 281.38 | Num_heavy_atoms: | 19 |
| TPSA: | 47.56 | NumAromaticRings: | 1 |
