Glycoside
GD139419
Name:
3,4,5-trihydroxy-6-(2-hydroxy-3-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}propoxy)oxane-2-carboxylic acidFormula:
C19H24O12Smiles:
COc1cc(C=CC(=O)OCC(O)COC2OC(C(=O)O)C(O)C(O)C2O)ccc1OAglycone:
COc1cc(C=CC(=O)OCC(O)CO)ccc1OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.47 |
| AlogP: | -1.77 | Num_rotatable_bonds: | 9 |
| MolWt: | 444.39 | Num_heavy_atoms: | 31 |
| TPSA: | 192.44 | 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 |
