Glycoside
GD127997
Name:
Patuletin 3-(4''-Acetylrhamnoside)-7-(3''',4'''-Diacetylrhamnoside)Formula:
C34H38O19Smiles:
COc1c(OC2OC(C)C(OC(C)=O)C(OC(C)=O)C2O)cc2oc(-c3ccc(O)c(O)c3)c(OC3OC(C)C(OC(C)=O)C(O)C3O)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(C)OC(O)C(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.47 |
| AlogP: | 0.71 | Num_rotatable_bonds: | 9 |
| MolWt: | 750.66 | Num_heavy_atoms: | 53 |
| TPSA: | 276.64 | 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 |
