Glycoside
GD147392
Name:
methyl 3-ethylidene-4-{2-[2-(3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethoxy]-2-oxoethyl}-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylateFormula:
C31H42O18Smiles:
CC=C1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OCCc1ccc(OC2OC(CO)C(O)C(O)C2O)c(O)c1Aglycone:
CC=C1C(O)OC=C(C(=O)OC)C1CC(=O)OCCc1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.61 |
| AlogP: | -3.16 | Num_rotatable_bonds: | 12 |
| MolWt: | 702.66 | Num_heavy_atoms: | 49 |
| TPSA: | 280.82 | NumAromaticRings: | 1 |
Unique Aglycone
AD16671
Formula: C19H22O8
Smiles:
CC=C1C(O)OC=C(C(=O)OC)C1CC(=O)OCCc1ccc(O)c(O)c1| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.37 |
| AlogP: | 1.54 | Num_rotatable_bonds: | 6 |
| MolWt: | 378.38 | Num_heavy_atoms: | 27 |
| TPSA: | 122.52 | NumAromaticRings: | 1 |
