Glycoside
GD026104
Name:
NoneFormula:
C22H22O4NClSSmiles:
CSc1ccc(Cc2cn([C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)c3cccc(Cl)c23)cc1Aglycone:
CSc1ccc(Cc2c[nH]c3cccc(Cl)c23)cc1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 3.22 | Num_rotatable_bonds: | 4 |
| MolWt: | 419.93 | Num_heavy_atoms: | 28 |
| TPSA: | 74.85 | NumAromaticRings: | 3 |
Unique Aglycone
AD17233
Formula: C17H14NClS
Smiles:
CSc1ccc(Cc2c[nH]c3cccc(Cl)c23)cc1| HBA: | 1 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 5.13 | Num_rotatable_bonds: | 3 |
| MolWt: | 287.82 | Num_heavy_atoms: | 19 |
| TPSA: | 15.79 | NumAromaticRings: | 3 |
