Glycoside
GD115726
Name:
2-[(1,8-dihydroxydec-9-en-4,6-diyn-1-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C16H22O8Smiles:
C=CC(O)C#CC#CCCC(O)OC1OC(CO)C(O)C(O)C1OAglycone:
C=CC(O)C#CC#CCCC(O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.62 |
| AlogP: | -2.54 | Num_rotatable_bonds: | 6 |
| MolWt: | 342.34 | Num_heavy_atoms: | 24 |
| TPSA: | 139.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD45837
Formula: C10H12O3
Smiles:
C=CC(O)C#CC#CCCC(O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 3 |
| MolWt: | 180.2 | Num_heavy_atoms: | 13 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
