Glycoside
GD028766
Name:
NoneFormula:
C20H21O6ClSSmiles:
COc1ccc(Sc2cc([C@@H]3OC(OC)[C@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1Aglycone:
COc1ccc(Sc2ccccc2Cl)cc1Sugarmoiety:
COC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.37 |
| AlogP: | 2.63 | Num_rotatable_bonds: | 5 |
| MolWt: | 412.89 | Num_heavy_atoms: | 27 |
| TPSA: | 88.38 | NumAromaticRings: | 2 |
Unique Aglycone
AD18757
Formula: C14H11OClS
Smiles:
COc1ccc(Sc2ccccc2Cl)cc1| HBA: | 1 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.08 |
| AlogP: | 4.5 | Num_rotatable_bonds: | 3 |
| MolWt: | 250.75 | Num_heavy_atoms: | 16 |
| TPSA: | 9.23 | NumAromaticRings: | 2 |
