Glycoside
GD092395
Name:
NoneFormula:
C19H31O8NSSmiles:
CCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)COAglycone:
CCCOc1ccc(C(C)(C)C)cc1S(N)(=O)=OSugarmoiety:
O=CC(O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.63 |
| AlogP: | -0.31 | Num_rotatable_bonds: | 11 |
| MolWt: | 433.52 | Num_heavy_atoms: | 29 |
| TPSA: | 153.39 | NumAromaticRings: | 1 |
Unique Aglycone
AD39806
Formula: C13H21O3NS
Smiles:
CCCOc1ccc(C(C)(C)C)cc1S(N)(=O)=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.54 |
| AlogP: | 2.42 | Num_rotatable_bonds: | 4 |
| MolWt: | 271.38 | Num_heavy_atoms: | 18 |
| TPSA: | 69.39 | NumAromaticRings: | 1 |
