Glycoside
GD119199
Name:
1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentadeca-6,12-dien-8,10-diyn-3-oneFormula:
C21H28O7Smiles:
CCC=CC#CC#CC=CCCC(=O)CCOC1OC(CO)C(O)C(O)C1OAglycone:
CCC=CC#CC#CC=CCCC(=O)CCOSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.57 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 9 |
| MolWt: | 392.45 | Num_heavy_atoms: | 28 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD47717
Formula: C15H18O2
Smiles:
CCC=CC#CC#CC=CCCC(=O)CCO| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 2.25 | Num_rotatable_bonds: | 6 |
| MolWt: | 230.31 | Num_heavy_atoms: | 17 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
