Glycoside
GD131551
Name:
Eucalmainoside EFormula:
C24H36O13Smiles:
Cc1c(O)c(C)c(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)c(C(=O)CC(C)C)c1OAglycone:
Cc1c(O)c(C)c(O)c(C(=O)CC(C)C)c1OSugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.71 |
| AlogP: | -1.41 | Num_rotatable_bonds: | 8 |
| MolWt: | 532.54 | Num_heavy_atoms: | 37 |
| TPSA: | 215.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD47564
Formula: C13H18O4
Smiles:
Cc1c(O)c(C)c(O)c(C(=O)CC(C)C)c1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.46 |
| AlogP: | 2.65 | Num_rotatable_bonds: | 3 |
| MolWt: | 238.28 | Num_heavy_atoms: | 17 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
