Glycoside
GD147768
Name:
1-{2-hydroxy-4-methoxy-6-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]phenyl}-3-(4-hydroxyphenyl)propan-1-oneFormula:
C28H36O14Smiles:
COc1cc(O)c(C(=O)CCc2ccc(O)cc2)c(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)c1Aglycone:
COc1cc(O)c(C(=O)CCc2ccc(O)cc2)c(O)c1Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.54 |
| AlogP: | -1.05 | Num_rotatable_bonds: | 10 |
| MolWt: | 596.58 | Num_heavy_atoms: | 42 |
| TPSA: | 225.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD01143
Formula: C16H16O5
Smiles:
COc1cc(O)c(C(=O)CCc2ccc(O)cc2)c(O)c1| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.19 |
| AlogP: | 2.63 | Num_rotatable_bonds: | 5 |
| MolWt: | 288.3 | Num_heavy_atoms: | 21 |
| TPSA: | 86.99 | NumAromaticRings: | 2 |
