Glycoside
GD122165
Name:
Pfaffiaglycoside BFormula:
C35H52O10Smiles:
C=C1CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1Aglycone:
C=C1CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.83 |
| AlogP: | 3.65 | Num_rotatable_bonds: | 4 |
| MolWt: | 632.79 | Num_heavy_atoms: | 45 |
| TPSA: | 173.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD48606
Formula: C29H44O4
Smiles:
C=C1CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1| HBA: | 4 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 5.73 | Num_rotatable_bonds: | 1 |
| MolWt: | 456.67 | Num_heavy_atoms: | 33 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
