Glycoside
GD118619
Name:
methyl 2-{[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3-(2-hydroxyethylidene)-4-{2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl}-3,4-dihydro-2H-pyran-5-carboxylateFormula:
C31H42O18Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(=CCO)C1CC(=O)OCCc1ccc(O)cc1Aglycone:
COC(=O)C1=COC(O)C(=CCO)C1CC(=O)OCCc1ccc(O)cc1Sugarmoiety:
OCC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.61 |
| AlogP: | -3.54 | Num_rotatable_bonds: | 13 |
| MolWt: | 702.66 | Num_heavy_atoms: | 49 |
| TPSA: | 280.82 | 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 |
