Glycoside
GD149049
Name:
2-{2-hydroxy-4-[2-(3-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethenyl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C26H32O14Smiles:
OCC1OC(Oc2cc(O)cc(C=Cc3ccc(OC4OC(CO)C(O)C(O)C4O)c(O)c3)c2)C(O)C(O)C1OAglycone:
Oc1cc(O)cc(C=Cc2ccc(O)c(O)c2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.46 |
| AlogP: | -2.37 | Num_rotatable_bonds: | 8 |
| MolWt: | 568.53 | Num_heavy_atoms: | 40 |
| TPSA: | 239.22 | NumAromaticRings: | 2 |
Unique Aglycone
AD01709
Formula: C14H12O4
Smiles:
Oc1cc(O)cc(C=Cc2ccc(O)c(O)c2)c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.68 | Num_rotatable_bonds: | 2 |
| MolWt: | 244.25 | Num_heavy_atoms: | 18 |
| TPSA: | 80.92 | NumAromaticRings: | 2 |
