Glycoside
GD023934
Name:
NoneFormula:
C18H22O6SSmiles:
COc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cs2)cc1Aglycone:
COc1ccc(Cc2cccs2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | 0.86 | Num_rotatable_bonds: | 5 |
| MolWt: | 366.44 | Num_heavy_atoms: | 25 |
| TPSA: | 99.38 | NumAromaticRings: | 2 |
Unique Aglycone
AD16044
Formula: C12H12OS
Smiles:
COc1ccc(Cc2cccs2)cc1| HBA: | 1 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.17 |
| AlogP: | 3.35 | Num_rotatable_bonds: | 3 |
| MolWt: | 204.29 | Num_heavy_atoms: | 14 |
| TPSA: | 9.23 | NumAromaticRings: | 2 |
