Glycoside
GD143720
Name:
2-[2,4-dihydroxy-3-(4-hydroxybenzoyl)-6-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C20H22O11Smiles:
COc1cc(O)c(C(=O)c2ccc(O)cc2)c(O)c1OC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(O)c(C(=O)c2ccc(O)cc2)c(O)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.35 |
| AlogP: | -0.78 | Num_rotatable_bonds: | 6 |
| MolWt: | 438.39 | Num_heavy_atoms: | 31 |
| TPSA: | 186.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD57727
Formula: C14H12O6
Smiles:
COc1cc(O)c(C(=O)c2ccc(O)cc2)c(O)c1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.07 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 3 |
| MolWt: | 276.24 | Num_heavy_atoms: | 20 |
| TPSA: | 107.22 | NumAromaticRings: | 2 |
