Glycoside
GD100218
Name:
NoneFormula:
C20H21O9NSSmiles:
O=S(=O)(Nc1ccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc1)c1ccc2occc2c1Aglycone:
O=S(=O)(Nc1ccc(O)cc1)c1ccc2occc2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | 0.41 | Num_rotatable_bonds: | 6 |
| MolWt: | 451.45 | Num_heavy_atoms: | 31 |
| TPSA: | 158.69 | NumAromaticRings: | 3 |
Unique Aglycone
AD42352
Formula: C14H11O4NS
Smiles:
O=S(=O)(Nc1ccc(O)cc1)c1ccc2occc2c1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.94 | Num_rotatable_bonds: | 3 |
| MolWt: | 289.31 | Num_heavy_atoms: | 20 |
| TPSA: | 79.54 | NumAromaticRings: | 3 |
