Glycoside
GD088630
Name:
NoneFormula:
C20H19O9NSSmiles:
O=C(N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=OAglycone:
NC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | -1.41 | Num_rotatable_bonds: | 3 |
| MolWt: | 449.44 | Num_heavy_atoms: | 31 |
| TPSA: | 170.46 | NumAromaticRings: | 2 |
Unique Aglycone
AD38785
Formula: C14H9O4NS
Smiles:
NC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.16 | Num_rotatable_bonds: | 1 |
| MolWt: | 287.3 | Num_heavy_atoms: | 20 |
| TPSA: | 94.3 | NumAromaticRings: | 2 |
