Glycoside
GD149505
Name:
AspalathinFormula:
C21H24O11Smiles:
O=C(CCc1ccc(O)c(O)c1)c1c(O)cc(O)c(C2OC(CO)C(O)C(O)C2O)c1OAglycone:
O=C(CCc1ccc(O)c(O)c1)c1c(O)cc(O)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.38 |
| AlogP: | -0.46 | Num_rotatable_bonds: | 6 |
| MolWt: | 452.41 | Num_heavy_atoms: | 32 |
| TPSA: | 208.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD20902
Formula: C15H14O6
Smiles:
O=C(CCc1ccc(O)c(O)c1)c1c(O)cc(O)cc1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.13 |
| AlogP: | 2.03 | Num_rotatable_bonds: | 4 |
| MolWt: | 290.27 | Num_heavy_atoms: | 21 |
| TPSA: | 118.22 | NumAromaticRings: | 2 |
