Glycoside
GD100231
Name:
NoneFormula:
C20H21O8NS2Smiles:
O=S(=O)(Nc1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)c1csc2ccccc12Aglycone:
O=S(=O)(Nc1ccc(O)cc1)c1csc2ccccc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 6 |
| MolWt: | 467.52 | Num_heavy_atoms: | 31 |
| TPSA: | 145.55 | NumAromaticRings: | 3 |
Unique Aglycone
AD42355
Formula: C14H11O3NS2
Smiles:
O=S(=O)(Nc1ccc(O)cc1)c1csc2ccccc12| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 3.41 | Num_rotatable_bonds: | 3 |
| MolWt: | 305.38 | Num_heavy_atoms: | 20 |
| TPSA: | 66.4 | NumAromaticRings: | 3 |
