Glycoside
GD000983
Name:
NoneFormula:
C21H25O13NSSmiles:
Nc1cc(CCC(=O)c2c(O)cc(O)cc2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc(S(=O)(=O)O)c1OAglycone:
Nc1cc(CCC(=O)c2c(O)cc(O)cc2O)cc(S(=O)(=O)O)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.38 |
| AlogP: | -1.37 | Num_rotatable_bonds: | 8 |
| MolWt: | 531.49 | Num_heavy_atoms: | 36 |
| TPSA: | 257.53 | NumAromaticRings: | 2 |
Unique Aglycone
AD01023
Formula: C15H15O8NS
Smiles:
Nc1cc(CCC(=O)c2c(O)cc(O)cc2O)cc(S(=O)(=O)O)c1O| HBA: | 9 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.13 |
| AlogP: | 1.15 | Num_rotatable_bonds: | 5 |
| MolWt: | 369.35 | Num_heavy_atoms: | 25 |
| TPSA: | 178.38 | NumAromaticRings: | 2 |
