Glycoside
GD146395
Name:
2-(5-{4-[2-(3,5-dihydroxyphenyl)ethenyl]phenoxy}-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C32H36O15Smiles:
OCC1OC(Oc2ccc(Oc3ccc(C=Cc4cc(O)cc(O)c4)cc3)cc2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
Oc1cc(O)cc(C=Cc2ccc(Oc3ccc(O)c(O)c3)cc2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.38 |
| AlogP: | -0.58 | Num_rotatable_bonds: | 10 |
| MolWt: | 660.63 | Num_heavy_atoms: | 47 |
| TPSA: | 248.45 | NumAromaticRings: | 3 |
Unique Aglycone
AD57565
Formula: C20H16O5
Smiles:
Oc1cc(O)cc(C=Cc2ccc(Oc3ccc(O)c(O)c3)cc2)c1| HBA: | 5 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 4.47 | Num_rotatable_bonds: | 4 |
| MolWt: | 336.34 | Num_heavy_atoms: | 25 |
| TPSA: | 90.15 | NumAromaticRings: | 3 |
