Glycoside
GD018691
Name:
2-(hydroxymethyl)-6-{3-[2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-3,4,5-triolFormula:
C26H32O13Smiles:
OC[C@@H]1O[C@H](Oc2cc(C=Cc3ccc(O)cc3)cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Oc1ccc(C=Cc2cc(O)cc(O)c2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.46 |
| AlogP: | -2.08 | Num_rotatable_bonds: | 8 |
| MolWt: | 552.53 | Num_heavy_atoms: | 39 |
| TPSA: | 218.99 | NumAromaticRings: | 2 |
Unique Aglycone
AD01773
Formula: C14H12O3
Smiles:
Oc1ccc(C=Cc2cc(O)cc(O)c2)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.97 | Num_rotatable_bonds: | 2 |
| MolWt: | 228.25 | Num_heavy_atoms: | 17 |
| TPSA: | 60.69 | NumAromaticRings: | 2 |
