Glycoside
GD120865
Name:
PikurosideFormula:
C23H30O14Smiles:
COc1cc(C(=O)OC2C3CC4OCC(O)(C2O)C3C(OC2OC(CO)C(O)C(O)C2O)O4)ccc1OAglycone:
COc1cc(C(=O)OC2C3CC4OCC(O)(C2O)C3C(O)O4)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.7 |
| AlogP: | -2.82 | Num_rotatable_bonds: | 6 |
| MolWt: | 530.48 | Num_heavy_atoms: | 37 |
| TPSA: | 214.06 | NumAromaticRings: | 1 |
Unique Aglycone
AD48596
Formula: C17H20O9
Smiles:
COc1cc(C(=O)OC2C3CC4OCC(O)(C2O)C3C(O)O4)ccc1O| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.59 |
| AlogP: | -0.64 | Num_rotatable_bonds: | 3 |
| MolWt: | 368.34 | Num_heavy_atoms: | 26 |
| TPSA: | 134.91 | NumAromaticRings: | 1 |
