Glycoside
GD008416
Name:
NoneFormula:
C23H25O6ClSSmiles:
COc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c3c(c2Cl)SCC3)cc1Aglycone:
COc1ccc(Cc2ccc3c(c2Cl)SCC3)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | 2.1 | Num_rotatable_bonds: | 5 |
| MolWt: | 452.96 | Num_heavy_atoms: | 30 |
| TPSA: | 99.38 | NumAromaticRings: | 2 |
Unique Aglycone
AD06722
Formula: C17H15OClS
Smiles:
COc1ccc(Cc2ccc3c(c2Cl)SCC3)cc1| HBA: | 1 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 4.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 290.81 | Num_heavy_atoms: | 19 |
| TPSA: | 9.23 | NumAromaticRings: | 2 |
