Glycoside
GD128708
Name:
methyl 4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-3-(2-hydroxyethylidene)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylateFormula:
C25H32O14Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(=CCO)C1CC(=O)OCCc1ccc(O)c(O)c1Aglycone:
COC(=O)C1=COC(O)C(=CCO)C1CC(=O)OCCc1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.52 |
| AlogP: | -1.66 | Num_rotatable_bonds: | 10 |
| MolWt: | 556.52 | Num_heavy_atoms: | 39 |
| TPSA: | 221.9 | NumAromaticRings: | 1 |
Unique Aglycone
AD52099
Formula: C19H22O9
Smiles:
COC(=O)C1=COC(O)C(=CCO)C1CC(=O)OCCc1ccc(O)c(O)c1| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.37 |
| AlogP: | 0.51 | Num_rotatable_bonds: | 7 |
| MolWt: | 394.38 | Num_heavy_atoms: | 28 |
| TPSA: | 142.75 | NumAromaticRings: | 1 |
