Glycoside
GD147769
Name:
2-{4-[5-(3,4-dihydroxyphenyl)pent-4-en-1-yn-1-yl]-2-hydroxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C23H24O9Smiles:
OCC1OC(Oc2ccc(C#CCC=Cc3ccc(O)c(O)c3)cc2O)C(O)C(O)C1OAglycone:
Oc1ccc(C#CCC=Cc2ccc(O)c(O)c2)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.3 |
| AlogP: | 0.44 | Num_rotatable_bonds: | 5 |
| MolWt: | 444.44 | Num_heavy_atoms: | 32 |
| TPSA: | 160.07 | NumAromaticRings: | 2 |
Unique Aglycone
AD55219
Formula: C17H14O4
Smiles:
Oc1ccc(C#CCC=Cc2ccc(O)c(O)c2)cc1O| HBA: | 4 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.06 |
| AlogP: | 2.96 | Num_rotatable_bonds: | 2 |
| MolWt: | 282.3 | Num_heavy_atoms: | 21 |
| TPSA: | 80.92 | NumAromaticRings: | 2 |
