Glycoside
GD026655
Name:
2-(4-{4-hydroxy-3-phenyl-6-[2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl}phenoxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C40H42O14Smiles:
OC[C@@H]1O[C@H](Oc2ccc(C=Cc3cc(O)c4c(c3)O[C@H](c3ccc(O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)cc3)[C@H]4c3ccccc3)cc2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Oc1ccc(C=Cc2cc(O)c3c(c2)OC(c2ccc(O)cc2)C3c2ccccc2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.35 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 10 |
| MolWt: | 746.76 | Num_heavy_atoms: | 54 |
| TPSA: | 228.22 | NumAromaticRings: | 4 |
Unique Aglycone
AD13648
Formula: C28H22O4
Smiles:
Oc1ccc(C=Cc2cc(O)c3c(c2)OC(c2ccc(O)cc2)C3c2ccccc2)cc1| HBA: | 4 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.07 |
| AlogP: | 6.24 | Num_rotatable_bonds: | 4 |
| MolWt: | 422.48 | Num_heavy_atoms: | 32 |
| TPSA: | 69.92 | NumAromaticRings: | 4 |
