Glycoside
GD098548
Name:
NoneFormula:
C19H21O10NSSmiles:
O=S(=O)(Nc1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)c1ccc2c(c1)OCO2Aglycone:
O=S(=O)(Nc1ccc(O)cc1)c1ccc2c(c1)OCO2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.37 |
| AlogP: | -0.61 | Num_rotatable_bonds: | 6 |
| MolWt: | 455.44 | Num_heavy_atoms: | 31 |
| TPSA: | 164.01 | NumAromaticRings: | 2 |
Unique Aglycone
AD41906
Formula: C13H11O5NS
Smiles:
O=S(=O)(Nc1ccc(O)cc1)c1ccc2c(c1)OCO2| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 1.92 | Num_rotatable_bonds: | 3 |
| MolWt: | 293.3 | Num_heavy_atoms: | 20 |
| TPSA: | 84.86 | NumAromaticRings: | 2 |
