Glycoside
GD021416
Name:
NoneFormula:
C22H22O7NClSSmiles:
OCc1cc(Cl)c(Cc2ncc(-c3ccoc3)s2)cc1[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
OCc1ccc(Cc2ncc(-c3ccoc3)s2)c(Cl)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 1.65 | Num_rotatable_bonds: | 6 |
| MolWt: | 467.93 | Num_heavy_atoms: | 31 |
| TPSA: | 136.41 | NumAromaticRings: | 3 |
Unique Aglycone
AD14648
Formula: C16H12O2NClS
Smiles:
OCc1ccc(Cc2ncc(-c3ccoc3)s2)c(Cl)c1| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.13 |
| AlogP: | 4.14 | Num_rotatable_bonds: | 4 |
| MolWt: | 305.79 | Num_heavy_atoms: | 20 |
| TPSA: | 46.26 | NumAromaticRings: | 3 |
