Glycoside
GD126098
Name:
Ixerisoside KFormula:
C31H44O14Smiles:
C=C(C(=O)OC)C1CCC2(C)C(OC(=O)C(O)Cc3ccc(O)cc3)CCC(O)(COC3OC(CO)C(O)C(O)C3O)C2C1OAglycone:
C=C(C(=O)OC)C1CCC2(C)C(OC(=O)C(O)Cc3ccc(O)cc3)CCC(O)(CO)C2C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.68 |
| AlogP: | -1.33 | Num_rotatable_bonds: | 10 |
| MolWt: | 640.68 | Num_heavy_atoms: | 45 |
| TPSA: | 232.9 | NumAromaticRings: | 1 |
Unique Aglycone
AD51005
Formula: C25H34O9
Smiles:
C=C(C(=O)OC)C1CCC2(C)C(OC(=O)C(O)Cc3ccc(O)cc3)CCC(O)(CO)C2C1O| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | 0.85 | Num_rotatable_bonds: | 7 |
| MolWt: | 478.54 | Num_heavy_atoms: | 34 |
| TPSA: | 153.75 | NumAromaticRings: | 1 |
