Glycoside
GD123372
Name:
methyl 3-[2-(acetyloxy)ethylidene]-2-{[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4-{2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl}-3,4-dihydro-2H-pyran-5-carboxylateFormula:
C33H44O19Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(=CCOC(C)=O)C1CC(=O)OCCc1ccc(O)cc1Aglycone:
COC(=O)C1=COC(O)C(=CCOC(C)=O)C1CC(=O)OCCc1ccc(O)cc1Sugarmoiety:
OCC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.61 |
| AlogP: | -2.97 | Num_rotatable_bonds: | 14 |
| MolWt: | 744.7 | Num_heavy_atoms: | 52 |
| TPSA: | 286.89 | NumAromaticRings: | 1 |
Unique Aglycone
AD48274
Formula: C21H24O9
Smiles:
COC(=O)C1=COC(O)C(=CCOC(C)=O)C1CC(=O)OCCc1ccc(O)cc1| HBA: | 9 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 8 |
| MolWt: | 420.41 | Num_heavy_atoms: | 30 |
| TPSA: | 128.59 | NumAromaticRings: | 1 |
