Glycoside
GD089714
Name:
NoneFormula:
C18H19O8N2ClSSmiles:
O=S(=O)(Nc1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)c1cccnc1ClAglycone:
O=S(=O)(Nc1ccc(O)cc1)c1cccnc1ClSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | -0.29 | Num_rotatable_bonds: | 6 |
| MolWt: | 446.87 | Num_heavy_atoms: | 29 |
| TPSA: | 158.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD39096
Formula: C12H9O3N2ClS
Smiles:
O=S(=O)(Nc1ccc(O)cc1)c1cccnc1Cl| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.24 | Num_rotatable_bonds: | 3 |
| MolWt: | 284.72 | Num_heavy_atoms: | 18 |
| TPSA: | 79.29 | NumAromaticRings: | 2 |
