Glycoside
GD008766
Name:
NoneFormula:
C20H20O5SSmiles:
COc1ccc(-c2cc3ccccc3s2)cc1[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
COc1ccc(-c2cc3ccccc3s2)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.3 |
| AlogP: | 2.73 | Num_rotatable_bonds: | 4 |
| MolWt: | 372.44 | Num_heavy_atoms: | 26 |
| TPSA: | 79.15 | NumAromaticRings: | 3 |
Unique Aglycone
AD06958
Formula: C15H12OS
Smiles:
COc1ccc(-c2cc3ccccc3s2)cc1| HBA: | 1 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.07 |
| AlogP: | 4.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 240.33 | Num_heavy_atoms: | 17 |
| TPSA: | 9.23 | NumAromaticRings: | 3 |
