Glycoside
GD129260
Name:
Laetiposide DFormula:
C37H58O9Smiles:
C=C(CCC(C(=O)O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3OC1OC(CO)C(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:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.84 |
| AlogP: | 4.79 | Num_rotatable_bonds: | 9 |
| MolWt: | 646.86 | Num_heavy_atoms: | 46 |
| TPSA: | 153.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD52366
Formula: C31H48O4
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: | 2 | FractionCSP3: | 0.81 |
| AlogP: | 6.97 | Num_rotatable_bonds: | 6 |
| MolWt: | 484.72 | Num_heavy_atoms: | 35 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
