Glycoside
GD154753
Name:
1-(2,6-dihydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-(3-hydroxy-4-methoxyphenyl)propan-1-oneFormula:
C22H26O11Smiles:
COc1ccc(CCC(=O)c2c(O)cc(OC3OC(CO)C(O)C(O)C3O)cc2O)cc1OAglycone:
COc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.41 |
| AlogP: | -0.19 | Num_rotatable_bonds: | 8 |
| MolWt: | 466.44 | Num_heavy_atoms: | 33 |
| TPSA: | 186.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD00733
Formula: C16H16O6
Smiles:
COc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.19 |
| AlogP: | 2.33 | Num_rotatable_bonds: | 5 |
| MolWt: | 304.3 | Num_heavy_atoms: | 22 |
| TPSA: | 107.22 | NumAromaticRings: | 2 |
