Glycoside
GD134166
Name:
Ixerisoside IFormula:
C21H32O10Smiles:
C=C1C(=O)OC2C1CCC1(C)C(O)CCC(O)(COC3OC(CO)C(O)C(O)C3O)C21Aglycone:
C=C1C(=O)OC2C1CCC1(C)C(O)CCC(O)(CO)C21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.86 |
| AlogP: | -1.8 | Num_rotatable_bonds: | 4 |
| MolWt: | 444.48 | Num_heavy_atoms: | 31 |
| TPSA: | 166.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD54278
Formula: C15H22O5
Smiles:
C=C1C(=O)OC2C1CCC1(C)C(O)CCC(O)(CO)C21| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 0.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 282.34 | Num_heavy_atoms: | 20 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
