Glycoside
GD082654
Name:
NoneFormula:
C16H25O9NSSmiles:
COc1ccc(OCCCS(=O)(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)cc1Aglycone:
COc1ccc(OCCCS(N)(=O)=O)cc1Sugarmoiety:
O=CC(O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -1.97 | Num_rotatable_bonds: | 13 |
| MolWt: | 407.44 | Num_heavy_atoms: | 27 |
| TPSA: | 162.62 | 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 |
