Glycoside
GD117033
Name:
2-[(12,14-dihydroxytetradeca-2,8-dien-4,6-diyn-1-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C20H28O8Smiles:
OCCC(O)CCC=CC#CC#CC=CCOC1OC(CO)C(O)C(O)C1OAglycone:
OCC=CC#CC#CC=CCCC(O)CCOSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.6 |
| AlogP: | -1.55 | Num_rotatable_bonds: | 9 |
| MolWt: | 396.44 | Num_heavy_atoms: | 28 |
| TPSA: | 139.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD46592
Formula: C14H18O3
Smiles:
OCC=CC#CC#CC=CCCC(O)CCO| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 6 |
| MolWt: | 234.29 | Num_heavy_atoms: | 17 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
