Glycoside
GD151546
Name:
2-{3-[2-(2H-1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]-3-hydroxypropoxy}-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triolFormula:
C30H36O15Smiles:
COc1cc(C(O)CCOC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)cc2cc(-c3ccc4c(c3)OCO4)oc12Aglycone:
COc1cc(C(O)CCO)cc2cc(-c3ccc4c(c3)OCO4)oc12Sugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.53 |
| AlogP: | -0.46 | Num_rotatable_bonds: | 10 |
| MolWt: | 636.6 | Num_heavy_atoms: | 45 |
| TPSA: | 219.36 | NumAromaticRings: | 3 |
Unique Aglycone
AD60426
Formula: C19H18O6
Smiles:
COc1cc(C(O)CCO)cc2cc(-c3ccc4c(c3)OCO4)oc12| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.26 |
| AlogP: | 3.25 | Num_rotatable_bonds: | 5 |
| MolWt: | 342.35 | Num_heavy_atoms: | 25 |
| TPSA: | 81.29 | NumAromaticRings: | 3 |
