Glycoside
GD118213
Name:
MacrocarposideFormula:
C21H22O11Smiles:
O=C1c2c(cc(O)c(C3OC(CO)C(O)C(O)C3O)c2O)OCC1c1ccc(O)cc1OAglycone:
O=C1c2c(O)cc(O)cc2OCC1c1ccc(O)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.38 |
| AlogP: | -0.62 | Num_rotatable_bonds: | 3 |
| MolWt: | 450.4 | Num_heavy_atoms: | 32 |
| TPSA: | 197.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD47243
Formula: C15H12O6
Smiles:
O=C1c2c(O)cc(O)cc2OCC1c1ccc(O)cc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.13 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 1 |
| MolWt: | 288.25 | Num_heavy_atoms: | 21 |
| TPSA: | 107.22 | NumAromaticRings: | 2 |
