Glycoside
GD143549
Name:
2-{3-[2-(3,4-dimethoxyphenyl)-7-methoxy-1-benzofuran-5-yl]-3-hydroxypropoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C26H32O11Smiles:
COc1ccc(-c2cc3cc(C(O)CCOC4OC(CO)C(O)C(O)C4O)cc(OC)c3o2)cc1OCAglycone:
COc1ccc(-c2cc3cc(C(O)CCO)cc(OC)c3o2)cc1OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 10 |
| MolWt: | 520.53 | Num_heavy_atoms: | 37 |
| TPSA: | 160.44 | NumAromaticRings: | 3 |
Unique Aglycone
AD57732
Formula: C20H22O6
Smiles:
COc1ccc(-c2cc3cc(C(O)CCO)cc(OC)c3o2)cc1OC| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 3.54 | Num_rotatable_bonds: | 7 |
| MolWt: | 358.39 | Num_heavy_atoms: | 26 |
| TPSA: | 81.29 | NumAromaticRings: | 3 |
