Glycoside
GD125204
Name:
Laetiposide EFormula:
C36H58O8Smiles:
C=C(CCC(C(=O)O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3OC1OCC(O)C(O)C1O)C(C)CAglycone:
C=C(CCC(C(=O)O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3O)C(C)CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.86 |
| AlogP: | 5.22 | Num_rotatable_bonds: | 8 |
| MolWt: | 618.85 | Num_heavy_atoms: | 44 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD50629
Formula: C31H50O4
Smiles:
C=C(CCC(C(=O)O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3O)C(C)C| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.84 |
| AlogP: | 6.76 | Num_rotatable_bonds: | 6 |
| MolWt: | 486.74 | Num_heavy_atoms: | 35 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
