Glycoside
GD137639
Name:
Ixerin BFormula:
C21H28O9Smiles:
C=C1C(=O)OC2C=C(COC3OC(CO)C(O)C(O)C3O)CCC=C(C=O)CCC12Aglycone:
C=C1C(=O)OC2C=C(CO)CCC=C(C=O)CCC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | -0.47 | Num_rotatable_bonds: | 5 |
| MolWt: | 424.45 | Num_heavy_atoms: | 30 |
| TPSA: | 142.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD51076
Formula: C15H18O4
Smiles:
C=C1C(=O)OC2C=C(CO)CCC=C(C=O)CCC12| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.47 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 2 |
| MolWt: | 262.3 | Num_heavy_atoms: | 19 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
