Glycoside
GD125122
Name:
Picrioside AFormula:
C36H42O13Smiles:
C=C(C(=O)OC1CC(C)=C2C(=O)C=C(COC3OC(CO)C(O)C(O)C3O)C2C2OC(=O)C(=C)C12)C1CCC(CO)=C2C(=O)C=C(C)C2C1Aglycone:
C=C(C(=O)OC1CC(C)=C2C(=O)C=C(CO)C2C2OC(=O)C(=C)C12)C1CCC(CO)=C2C(=O)C=C(C)C2C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | 0.45 | Num_rotatable_bonds: | 8 |
| MolWt: | 682.72 | Num_heavy_atoms: | 49 |
| TPSA: | 206.35 | NumAromaticRings: | 0 |
Unique Aglycone
AD50598
Formula: C30H32O8
Smiles:
C=C(C(=O)OC1CC(C)=C2C(=O)C=C(CO)C2C2OC(=O)C(=C)C12)C1CCC(CO)=C2C(=O)C=C(C)C2C1| HBA: | 8 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.47 |
| AlogP: | 2.62 | Num_rotatable_bonds: | 5 |
| MolWt: | 520.58 | Num_heavy_atoms: | 38 |
| TPSA: | 127.2 | NumAromaticRings: | 0 |
