Glycoside
GD129843
Name:
2-[(6-{3-[2-(3,4-dimethoxyphenyl)-7-methoxy-1-benzofuran-5-yl]propoxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C32H42O15Smiles:
COc1ccc(-c2cc3cc(CCCOC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)cc(OC)c3o2)cc1OCAglycone:
COc1ccc(-c2cc3cc(CCCO)cc(OC)c3o2)cc1OCSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.56 |
| AlogP: | -0.3 | Num_rotatable_bonds: | 13 |
| MolWt: | 666.67 | Num_heavy_atoms: | 47 |
| TPSA: | 219.36 | 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 |
