Glycoside
GD009529
Name:
2-{3-[2-(3,5-dihydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-2-hydroxy-1-(4-hydroxyphenyl)ethyl]-4,6-dihydroxy-2-[2-(4-hydroxyphenyl)ethenyl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C40H44O19Smiles:
OC[C@@H]1O[C@H](Oc2c(O)cc(O)cc2[C@H](O)[C@H](c2ccc(O)cc2)c2c(O)cc(O)c(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c2C=Cc2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Oc1ccc(C=Cc2c(O)c(O)cc(O)c2C(c2ccc(O)cc2)C(O)c2cc(O)cc(O)c2O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 15 | FractionCSP3: | 0.35 |
| AlogP: | -0.69 | Num_rotatable_bonds: | 12 |
| MolWt: | 828.77 | Num_heavy_atoms: | 59 |
| TPSA: | 340.37 | NumAromaticRings: | 4 |
Unique Aglycone
AD07466
Formula: C28H24O9
Smiles:
Oc1ccc(C=Cc2c(O)c(O)cc(O)c2C(c2ccc(O)cc2)C(O)c2cc(O)cc(O)c2O)cc1| HBA: | 9 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.07 |
| AlogP: | 4.37 | Num_rotatable_bonds: | 6 |
| MolWt: | 504.49 | Num_heavy_atoms: | 37 |
| TPSA: | 182.07 | NumAromaticRings: | 4 |
