Glycoside
GD130794
Name:
2-(2,4,6-trichloro-3-methoxy-5-methylphenoxy)-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triolFormula:
C22H25O11Cl3Smiles:
COc1c(Cl)c(C)c(Cl)c(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)c1ClAglycone:
COc1c(Cl)c(C)c(Cl)c(O)c1ClSugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.68 |
| AlogP: | -0.39 | Num_rotatable_bonds: | 6 |
| MolWt: | 535.76 | Num_heavy_atoms: | 33 |
| TPSA: | 167.53 | NumAromaticRings: | 1 |
Unique Aglycone
AD52996
Formula: C11H7O2Cl3
Smiles:
COc1c(Cl)c(C)c(Cl)c(O)c1Cl| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 3.67 | Num_rotatable_bonds: | 1 |
| MolWt: | 241.5 | Num_heavy_atoms: | 13 |
| TPSA: | 29.46 | NumAromaticRings: | 1 |
