Glycoside
GD140047
Name:
2-{3-hydroxy-4-[2-(3-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethenyl]phenoxy}-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triolFormula:
C32H42O19Smiles:
OCC1OC(OCC2OC(Oc3ccc(C=Cc4cc(O)cc(OC5OC(CO)C(O)C(O)C5O)c4)c(O)c3)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
Oc1cc(O)cc(C=Cc2ccc(O)cc2O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 13 | FractionCSP3: | 0.56 |
| AlogP: | -4.55 | Num_rotatable_bonds: | 11 |
| MolWt: | 730.67 | Num_heavy_atoms: | 51 |
| TPSA: | 318.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD03582
Formula: C14H12O4
Smiles:
Oc1cc(O)cc(C=Cc2ccc(O)cc2O)c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.68 | Num_rotatable_bonds: | 2 |
| MolWt: | 244.25 | Num_heavy_atoms: | 18 |
| TPSA: | 80.92 | NumAromaticRings: | 2 |
