Glycoside
GD141630
Name:
2-(2,4,6-trichloro-3-methoxy-5-methylphenoxy)-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triolFormula:
C23H27O12Cl3Smiles:
COc1c(Cl)c(C)c(Cl)c(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)c1ClAglycone:
COc1c(Cl)c(C)c(Cl)c(O)c1ClSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.7 |
| AlogP: | -1.03 | Num_rotatable_bonds: | 7 |
| MolWt: | 565.78 | Num_heavy_atoms: | 35 |
| TPSA: | 187.76 | 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 |
