Glycoside
GD100741
Name:
NoneFormula:
C16H16O7NCl3S2Smiles:
O=S(=O)(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)C(Cl)(Cl)ClAglycone:
O=S(=O)(Nc1ccc(S)cc1)C(Cl)(Cl)ClSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 5 |
| MolWt: | 468.76 | Num_heavy_atoms: | 26 |
| TPSA: | 136.32 | NumAromaticRings: | 1 |
Unique Aglycone
AD42545
Formula: C10H6O2NCl3S2
Smiles:
O=S(=O)(Nc1ccc(S)cc1)C(Cl)(Cl)Cl| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 3.04 | Num_rotatable_bonds: | 2 |
| MolWt: | 306.62 | Num_heavy_atoms: | 15 |
| TPSA: | 46.17 | NumAromaticRings: | 1 |
