Glycoside
GD123338
Name:
Ixerin JFormula:
C21H30O9Smiles:
CC1C(=O)OC2C=C(COC3OC(CO)C(O)C(O)C3O)CCC=C(C=O)CCC21Aglycone:
CC1C(=O)OC2C=C(CO)CCC=C(C=O)CCC21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | -0.39 | Num_rotatable_bonds: | 5 |
| MolWt: | 426.46 | Num_heavy_atoms: | 30 |
| TPSA: | 142.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD49763
Formula: C15H20O4
Smiles:
CC1C(=O)OC2C=C(CO)CCC=C(C=O)CCC21| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 2 |
| MolWt: | 264.32 | Num_heavy_atoms: | 19 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
