Glycoside
GD027222
Name:
2-(3-{5-[2-(3,5-dihydroxyphenyl)ethenyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl}-5-hydroxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C34H32O11Smiles:
OC[C@@H]1O[C@H](Oc2cc(O)cc([C@@H]3c4cc(C=Cc5cc(O)cc(O)c5)ccc4O[C@H]3c3ccc(O)cc3)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Oc1ccc(C2Oc3ccc(C=Cc4cc(O)cc(O)c4)cc3C2c2cc(O)cc(O)c2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.24 |
| AlogP: | 3.12 | Num_rotatable_bonds: | 7 |
| MolWt: | 616.62 | Num_heavy_atoms: | 45 |
| TPSA: | 189.53 | NumAromaticRings: | 4 |
Unique Aglycone
AD17914
Formula: C28H22O6
Smiles:
Oc1ccc(C2Oc3ccc(C=Cc4cc(O)cc(O)c4)cc3C2c2cc(O)cc(O)c2)cc1| HBA: | 6 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.07 |
| AlogP: | 5.65 | Num_rotatable_bonds: | 4 |
| MolWt: | 454.48 | Num_heavy_atoms: | 34 |
| TPSA: | 110.38 | NumAromaticRings: | 4 |
