Glycoside
GD155913
Name:
2-[(6-{3-[2-(2H-1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propoxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triolFormula:
C37H48O20Smiles:
COc1cc(CCCOC2OC(COC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)C(O)C(O)C2O)cc2cc(-c3ccc4c(c3)OCO4)oc12Aglycone:
COc1cc(CCCO)cc2cc(-c3ccc4c(c3)OCO4)oc12Sugarmoiety:
OCC1OC(OCC2OC(OCC3OC(O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.62 |
| AlogP: | -2.77 | Num_rotatable_bonds: | 14 |
| MolWt: | 812.77 | Num_heavy_atoms: | 57 |
| TPSA: | 298.51 | NumAromaticRings: | 3 |
Unique Aglycone
AD00502
Formula: C19H18O5
Smiles:
COc1cc(CCCO)cc2cc(-c3ccc4c(c3)OCO4)oc12| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.26 |
| AlogP: | 3.76 | Num_rotatable_bonds: | 5 |
| MolWt: | 326.35 | Num_heavy_atoms: | 24 |
| TPSA: | 61.06 | NumAromaticRings: | 3 |
