Glycoside
GD107366
Name:
methyl 4-{2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl}-3-{2-[(3-phenylprop-2-enoyl)oxy]ethylidene}-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylateFormula:
C34H38O14Smiles:
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/C(=C\COC(=O)/C=C/c2ccccc2)[C@H]1CC(=O)OCCc1ccc(O)cc1Aglycone:
COC(=O)C1=COC(O)C(=CCOC(=O)C=Cc2ccccc2)C1CC(=O)OCCc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 0.9 | Num_rotatable_bonds: | 13 |
| MolWt: | 670.66 | Num_heavy_atoms: | 48 |
| TPSA: | 207.74 | NumAromaticRings: | 2 |
Unique Aglycone
AD44303
Formula: C28H28O9
Smiles:
COC(=O)C1=COC(O)C(=CCOC(=O)C=Cc2ccccc2)C1CC(=O)OCCc1ccc(O)cc1| HBA: | 9 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 3.07 | Num_rotatable_bonds: | 10 |
| MolWt: | 508.52 | Num_heavy_atoms: | 37 |
| TPSA: | 128.59 | NumAromaticRings: | 2 |
