Glycoside
GD014189
Name:
LINARIINFormula:
C30H34O16Smiles:
COc1ccc(-c2cc(=O)c3c(O)c(O)c(O[C@@H]4OC(CO[C@@H]5OC(C)[C@H](OC(C)=O)[C@H](O)C5O)[C@H](O)C(O)[C@H]4O)cc3o2)cc1Aglycone:
COc1ccc(-c2cc(=O)c3c(O)c(O)c(O)cc3o2)cc1Sugarmoiety:
CC(=O)OC1C(C)OC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.47 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 8 |
| MolWt: | 650.59 | Num_heavy_atoms: | 46 |
| TPSA: | 244.27 | NumAromaticRings: | 3 |
Unique Aglycone
AD10473
Formula: C16H12O6
Smiles:
COc1ccc(-c2cc(=O)c3c(O)c(O)c(O)cc3o2)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 2 |
| MolWt: | 300.27 | Num_heavy_atoms: | 22 |
| TPSA: | 100.13 | NumAromaticRings: | 3 |
