Glycoside
GD114681
Name:
methyl 3-(2-hydroxyethylidene)-4-{2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl}-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylateFormula:
C25H32O13Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(=CCO)C1CC(=O)OCCc1ccc(O)cc1Aglycone:
COC(=O)C1=COC(O)C(=CCO)C1CC(=O)OCCc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.52 |
| AlogP: | -1.37 | Num_rotatable_bonds: | 10 |
| MolWt: | 540.52 | Num_heavy_atoms: | 38 |
| TPSA: | 201.67 | NumAromaticRings: | 1 |
Unique Aglycone
AD45210
Formula: C19H22O8
Smiles:
COC(=O)C1=COC(O)C(=CCO)C1CC(=O)OCCc1ccc(O)cc1| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.37 |
| AlogP: | 0.81 | Num_rotatable_bonds: | 7 |
| MolWt: | 378.38 | Num_heavy_atoms: | 27 |
| TPSA: | 122.52 | NumAromaticRings: | 1 |
