Glycoside
GD132491
Name:
2-(hydroxymethyl)-6-{[5-(2-phenylethynyl)thiophen-2-yl]methoxy}oxane-3,4,5-triolFormula:
C19H20O6SSmiles:
OCC1OC(OCc2ccc(C#Cc3ccccc3)s2)C(O)C(O)C1OAglycone:
OCc1ccc(C#Cc2ccccc2)s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.37 |
| AlogP: | 0.46 | Num_rotatable_bonds: | 4 |
| MolWt: | 376.43 | Num_heavy_atoms: | 26 |
| TPSA: | 99.38 | NumAromaticRings: | 2 |
Unique Aglycone
AD53650
Formula: C13H10OS
Smiles:
OCc1ccc(C#Cc2ccccc2)s1| HBA: | 1 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 2.64 | Num_rotatable_bonds: | 1 |
| MolWt: | 214.29 | Num_heavy_atoms: | 15 |
| TPSA: | 20.23 | NumAromaticRings: | 2 |
