Glycoside
GD082614
Name:
NoneFormula:
C12H22O13NSSmiles:
[NH3+][C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1OS(O)(O)O)[C@H](O)COAglycone:
O=C(O)C1=CC(O)C(OS(O)(O)O)CO1Sugarmoiety:
[NH3+]C(C=O)C(O)C(OO)C(O)COOther Identifiers
Properties
| HBA: | 14 | RingCount: | 1 |
| HBD: | 11 | FractionCSP3: | 0.67 |
| AlogP: | -3.9 | Num_rotatable_bonds: | 10 |
| MolWt: | 420.37 | Num_heavy_atoms: | 27 |
| TPSA: | 251.31 | NumAromaticRings: | 0 |
Unique Aglycone
AD37081
Formula: C6H10O8S
Smiles:
O=C(O)C1=CC(O)C(OS(O)(O)O)CO1| HBA: | 8 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -0.13 | Num_rotatable_bonds: | 3 |
| MolWt: | 242.2 | Num_heavy_atoms: | 15 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
