Glycoside
GD001686
Name:
NoneFormula:
C23H22O6NClSSmiles:
COC1O[C@H](c2ccc(Cl)c(Cc3ccc(Oc4nccs4)cc3)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Clc1ccccc1Cc1ccc(Oc2nccs2)cc1Sugarmoiety:
COC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.32 |
| AlogP: | 3.31 | Num_rotatable_bonds: | 6 |
| MolWt: | 463.94 | Num_heavy_atoms: | 31 |
| TPSA: | 101.27 | NumAromaticRings: | 3 |
Unique Aglycone
AD01664
Formula: C17H12ONClS
Smiles:
Clc1ccccc1Cc1ccc(Oc2nccs2)cc1| HBA: | 2 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.06 |
| AlogP: | 5.18 | Num_rotatable_bonds: | 4 |
| MolWt: | 301.8 | Num_heavy_atoms: | 20 |
| TPSA: | 22.12 | NumAromaticRings: | 3 |
