Glycoside
GD157005
Name:
2-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoateFormula:
C19H26O11Smiles:
COc1cc(C=CC(=O)OCC(O)COC2OC(CO)C(O)C(O)C2O)ccc1OAglycone:
COc1cc(C=CC(=O)OCC(O)CO)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.53 |
| AlogP: | -1.87 | Num_rotatable_bonds: | 9 |
| MolWt: | 430.41 | Num_heavy_atoms: | 30 |
| TPSA: | 175.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD56217
Formula: C13H16O6
Smiles:
COc1cc(C=CC(=O)OCC(O)CO)ccc1O| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.31 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 6 |
| MolWt: | 268.26 | Num_heavy_atoms: | 19 |
| TPSA: | 96.22 | NumAromaticRings: | 1 |
