Glycoside
GD140218
Name:
6-(9-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}non-7-en-3,5-diyn-1-yl)-2H-pyran-2-oneFormula:
C20H22O8Smiles:
O=c1cccc(CCC#CC#CC=CCOC2OC(CO)C(O)C(O)C2O)o1Aglycone:
O=c1cccc(CCC#CC#CC=CCO)o1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | -1.05 | Num_rotatable_bonds: | 6 |
| MolWt: | 390.39 | Num_heavy_atoms: | 28 |
| TPSA: | 129.59 | NumAromaticRings: | 1 |
Unique Aglycone
AD56535
Formula: C14H12O3
Smiles:
O=c1cccc(CCC#CC#CC=CCO)o1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.21 |
| AlogP: | 1.13 | Num_rotatable_bonds: | 3 |
| MolWt: | 228.25 | Num_heavy_atoms: | 17 |
| TPSA: | 50.44 | NumAromaticRings: | 1 |
