Glycoside
GD153135
Name:
2-(2,4-dichloro-5-methoxy-3-methylphenoxy)-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triolFormula:
C22H28O12Cl2Smiles:
COc1cc(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)c(Cl)c(C)c1ClAglycone:
COc1cc(O)c(Cl)c(C)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: | -1.69 | Num_rotatable_bonds: | 7 |
| MolWt: | 531.34 | Num_heavy_atoms: | 34 |
| TPSA: | 187.76 | NumAromaticRings: | 1 |
Unique Aglycone
AD59447
Formula: C10H8O2Cl2
Smiles:
COc1cc(O)c(Cl)c(C)c1Cl| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 3.02 | Num_rotatable_bonds: | 1 |
| MolWt: | 207.06 | Num_heavy_atoms: | 12 |
| TPSA: | 29.46 | NumAromaticRings: | 1 |
