Glycoside
GD145531
Name:
2-{3-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C27H34O14Smiles:
COc1cc(C=Cc2cc(OC3OC(CO)C(O)C(O)C3O)cc(OC3OC(CO)C(O)C(O)C3O)c2)ccc1OAglycone:
COc1cc(C=Cc2cc(O)cc(O)c2)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.48 |
| AlogP: | -2.07 | Num_rotatable_bonds: | 9 |
| MolWt: | 582.56 | Num_heavy_atoms: | 41 |
| TPSA: | 228.22 | NumAromaticRings: | 2 |
Unique Aglycone
AD00718
Formula: C15H14O4
Smiles:
COc1cc(C=Cc2cc(O)cc(O)c2)ccc1O| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.07 |
| AlogP: | 2.98 | Num_rotatable_bonds: | 3 |
| MolWt: | 258.27 | Num_heavy_atoms: | 19 |
| TPSA: | 69.92 | NumAromaticRings: | 2 |
