Glycoside
GD020646
Name:
Patuletin 3-(4''-Acetylrhamnoside)-7-(3'''-Acetylrhamnoside)Formula:
C32H36O18Smiles:
COc1c(O[C@@H]2O[C@H](C)[C@H](O)[C@H](OC(C)=O)[C@H]2O)cc2oc(-c3ccc(O)c(O)c3)c(O[C@@H]3O[C@H](C)[C@H](OC(C)=O)[C@H](O)[C@H]3O)c(=O)c2c1OAglycone:
COc1c(O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1OSugarmoiety:
CC(=O)OC1C(C)OC(O)C(O)C1O.CC(=O)OC1C(O)C(C)OC(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.47 |
| AlogP: | 0.14 | Num_rotatable_bonds: | 8 |
| MolWt: | 708.62 | Num_heavy_atoms: | 50 |
| TPSA: | 270.57 | NumAromaticRings: | 3 |
Unique Aglycone
AD01718
Formula: C16H12O8
Smiles:
COc1c(O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.06 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 2 |
| MolWt: | 332.26 | Num_heavy_atoms: | 24 |
| TPSA: | 140.59 | NumAromaticRings: | 3 |
