Glycoside
GD150871
Name:
(5-oxo-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-yl)methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoateFormula:
C21H26O12Smiles:
COc1cc(C=CC(=O)OCC2OC(=O)CC2OC2OC(CO)C(O)C(O)C2O)ccc1OAglycone:
COc1cc(C=CC(=O)OCC2OC(=O)CC2O)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | -1.54 | Num_rotatable_bonds: | 8 |
| MolWt: | 470.43 | Num_heavy_atoms: | 33 |
| TPSA: | 181.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD60224
Formula: C15H16O7
Smiles:
COc1cc(C=CC(=O)OCC2OC(=O)CC2O)ccc1O| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 5 |
| MolWt: | 308.29 | Num_heavy_atoms: | 22 |
| TPSA: | 102.29 | NumAromaticRings: | 1 |
