Glycoside
GD079432
Name:
NoneFormula:
C16H25O9NSSmiles:
COc1ccc(OCCCS(=O)(=O)N[C@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)cc1Aglycone:
COc1ccc(OCCCS(N)(=O)=O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -1.82 | Num_rotatable_bonds: | 9 |
| MolWt: | 407.44 | Num_heavy_atoms: | 27 |
| TPSA: | 154.78 | NumAromaticRings: | 1 |
Unique Aglycone
AD36318
Formula: C10H15O4NS
Smiles:
COc1ccc(OCCCS(N)(=O)=O)cc1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 6 |
| MolWt: | 245.3 | Num_heavy_atoms: | 16 |
| TPSA: | 78.62 | NumAromaticRings: | 1 |
