Glycoside
GD131623
Name:
2-(2,4-dichloro-5-hydroxy-3-methylphenoxy)-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triolFormula:
C21H26O12Cl2Smiles:
Cc1c(Cl)c(O)cc(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)c1ClAglycone:
Cc1c(Cl)c(O)cc(O)c1ClSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.68 |
| AlogP: | -1.99 | Num_rotatable_bonds: | 6 |
| MolWt: | 517.31 | Num_heavy_atoms: | 33 |
| TPSA: | 198.76 | NumAromaticRings: | 1 |
Unique Aglycone
AD53311
Formula: C9H6O2Cl2
Smiles:
Cc1c(Cl)c(O)cc(O)c1Cl| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 2.71 | Num_rotatable_bonds: | 0 |
| MolWt: | 193.03 | Num_heavy_atoms: | 11 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
