Glycoside
GD146019
Name:
PrieurianosideFormula:
C40H62O12Smiles:
CC(=O)OCC(CC(O)C=C(C)C)C1CCC2(C)C3=CCC4C(C)(COC5OC(CO)C(O)C(O)C5O)C(=O)CCC4(C)C3CC(OC(C)=O)C12CAglycone:
CC(=O)OCC(CC(O)C=C(C)C)C1CCC2(C)C3=CCC4C(C)(CO)C(=O)CCC4(C)C3CC(OC(C)=O)C12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.82 |
| AlogP: | 3.4 | Num_rotatable_bonds: | 11 |
| MolWt: | 734.92 | Num_heavy_atoms: | 52 |
| TPSA: | 189.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD58579
Formula: C34H52O7
Smiles:
CC(=O)OCC(CC(O)C=C(C)C)C1CCC2(C)C3=CCC4C(C)(CO)C(=O)CCC4(C)C3CC(OC(C)=O)C12C| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.79 |
| AlogP: | 5.57 | Num_rotatable_bonds: | 8 |
| MolWt: | 572.78 | Num_heavy_atoms: | 41 |
| TPSA: | 110.13 | NumAromaticRings: | 0 |
