Glycoside
GD018918
Name:
NoneFormula:
C26H30O12Smiles:
COc1cc(OCC2CO2)c(C(=O)c2ccc(OCC3CO3)cc2)c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1Aglycone:
COc1cc(O)c(C(=O)c2ccc(OCC3CO3)cc2)c(OCC2CO2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 12 |
| MolWt: | 534.51 | Num_heavy_atoms: | 38 |
| TPSA: | 169.2 | NumAromaticRings: | 2 |
Unique Aglycone
AD13262
Formula: C20H20O7
Smiles:
COc1cc(O)c(C(=O)c2ccc(OCC3CO3)cc2)c(OCC2CO2)c1| HBA: | 7 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.35 |
| AlogP: | 2.19 | Num_rotatable_bonds: | 9 |
| MolWt: | 372.37 | Num_heavy_atoms: | 27 |
| TPSA: | 90.05 | NumAromaticRings: | 2 |
