Glycoside
GD152628
Name:
(5-hydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 2,6-dimethoxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoateFormula:
C28H36O17Smiles:
COc1ccc(OC2OC(CO)C(O)C(O)C2O)c(OC)c1C(=O)OCc1cc(O)ccc1OC1OC(CO)C(O)C(O)C1OAglycone:
COc1ccc(O)c(OC)c1C(=O)OCc1cc(O)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.54 |
| AlogP: | -2.88 | Num_rotatable_bonds: | 11 |
| MolWt: | 644.58 | Num_heavy_atoms: | 45 |
| TPSA: | 263.75 | NumAromaticRings: | 2 |
Unique Aglycone
AD58703
Formula: C16H16O7
Smiles:
COc1ccc(O)c(OC)c1C(=O)OCc1cc(O)ccc1O| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.19 |
| AlogP: | 2.18 | Num_rotatable_bonds: | 5 |
| MolWt: | 320.3 | Num_heavy_atoms: | 23 |
| TPSA: | 105.45 | NumAromaticRings: | 2 |
