Glycoside
GD084472
Name:
NoneFormula:
C18H19O8NSSmiles:
O=S(=O)(N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1ccc2oc3ccccc3c2c1Aglycone:
NS(=O)(=O)c1ccc2oc3ccccc3c2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 4 |
| MolWt: | 409.42 | Num_heavy_atoms: | 28 |
| TPSA: | 149.46 | NumAromaticRings: | 3 |
Unique Aglycone
AD37726
Formula: C12H9O3NS
Smiles:
NS(=O)(=O)c1ccc2oc3ccccc3c2c1| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.23 | Num_rotatable_bonds: | 1 |
| MolWt: | 247.27 | Num_heavy_atoms: | 17 |
| TPSA: | 73.3 | NumAromaticRings: | 3 |
