Glycoside
GD001124
Name:
NoneFormula:
C18H22O5SSmiles:
CCCSc1ccc2ccc(O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)cc2c1Aglycone:
CCCSc1ccc2ccc(O)cc2c1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.44 |
| AlogP: | 2.16 | Num_rotatable_bonds: | 5 |
| MolWt: | 350.44 | Num_heavy_atoms: | 24 |
| TPSA: | 79.15 | NumAromaticRings: | 2 |
Unique Aglycone
AD01174
Formula: C13H14OS
Smiles:
CCCSc1ccc2ccc(O)cc2c1| HBA: | 1 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.23 |
| AlogP: | 4.05 | Num_rotatable_bonds: | 3 |
| MolWt: | 218.32 | Num_heavy_atoms: | 15 |
| TPSA: | 20.23 | NumAromaticRings: | 2 |
