Glycoside
GD035093
Name:
NoneFormula:
C18H18O5SSmiles:
COc1ccc(C#Cc2ccsc2)cc1[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
COc1ccc(C#Cc2ccsc2)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 3 |
| MolWt: | 346.4 | Num_heavy_atoms: | 24 |
| TPSA: | 79.15 | NumAromaticRings: | 2 |
Unique Aglycone
AD22223
Formula: C13H10OS
Smiles:
COc1ccc(C#Cc2ccsc2)cc1| HBA: | 1 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.08 |
| AlogP: | 3.16 | Num_rotatable_bonds: | 1 |
| MolWt: | 214.29 | Num_heavy_atoms: | 15 |
| TPSA: | 9.23 | NumAromaticRings: | 2 |
