Glycoside
GD141143
Name:
Ixerin IFormula:
C29H36O11Smiles:
C=C1C(=O)OC2C=C(COC3OC(CO)C(O)C(O)C3O)CCC=C(COC(=O)Cc3ccc(O)cc3)CCC12Aglycone:
C=C1C(=O)OC2C=C(CO)CCC=C(COC(=O)Cc3ccc(O)cc3)CCC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 8 |
| MolWt: | 560.6 | Num_heavy_atoms: | 40 |
| TPSA: | 172.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD56886
Formula: C23H26O6
Smiles:
C=C1C(=O)OC2C=C(CO)CCC=C(COC(=O)Cc3ccc(O)cc3)CCC12| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.39 |
| AlogP: | 2.99 | Num_rotatable_bonds: | 5 |
| MolWt: | 398.46 | Num_heavy_atoms: | 29 |
| TPSA: | 93.06 | NumAromaticRings: | 1 |
