Glycoside
GD118304
Name:
2-{3-[2-(3,4-dimethoxyphenyl)-7-methoxy-1-benzofuran-5-yl]propoxy}-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triolFormula:
C31H40O14Smiles:
COc1ccc(-c2cc3cc(CCCOC4OC(COC5OCC(O)C(O)C5O)C(O)C(O)C4O)cc(OC)c3o2)cc1OCAglycone:
COc1ccc(-c2cc3cc(CCCO)cc(OC)c3o2)cc1OCSugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.55 |
| AlogP: | 0.34 | Num_rotatable_bonds: | 12 |
| MolWt: | 636.65 | Num_heavy_atoms: | 45 |
| TPSA: | 199.13 | NumAromaticRings: | 3 |
Unique Aglycone
AD44438
Formula: C20H22O5
Smiles:
COc1ccc(-c2cc3cc(CCCO)cc(OC)c3o2)cc1OC| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 4.05 | Num_rotatable_bonds: | 7 |
| MolWt: | 342.39 | Num_heavy_atoms: | 25 |
| TPSA: | 61.06 | NumAromaticRings: | 3 |
