Glycoside
GD114512
Name:
2-[4-(2-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C24H30O14Smiles:
OCC1OC(Oc2ccc(Oc3ccc(OC4OC(CO)C(O)C(O)C4O)cc3O)cc2)C(O)C(O)C1OAglycone:
Oc1ccc(Oc2ccc(O)cc2O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.5 |
| AlogP: | -2.46 | Num_rotatable_bonds: | 8 |
| MolWt: | 542.49 | Num_heavy_atoms: | 38 |
| TPSA: | 228.22 | NumAromaticRings: | 2 |
Unique Aglycone
AD45102
Formula: C12H10O4
Smiles:
Oc1ccc(Oc2ccc(O)cc2O)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 2 |
| MolWt: | 218.21 | Num_heavy_atoms: | 16 |
| TPSA: | 69.92 | NumAromaticRings: | 2 |
