Glycoside
GD145643
Name:
formipiniosideFormula:
C37H58O9Smiles:
C=C(C)C1CCC2=C(CCC3(C)C(C(CCC=C(C)C)C(=O)OC4OC(CO)C(O)C(O)C4O)CCC23C)C1(C)CCC(=O)OCAglycone:
C=C(C)C1CCC2=C(CCC3(C)C(C(CCC=C(C)C)C(=O)O)CCC23C)C1(C)CCC(=O)OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.78 |
| AlogP: | 5.15 | Num_rotatable_bonds: | 11 |
| MolWt: | 646.86 | Num_heavy_atoms: | 46 |
| TPSA: | 142.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD58442
Formula: C31H48O4
Smiles:
C=C(C)C1CCC2=C(CCC3(C)C(C(CCC=C(C)C)C(=O)O)CCC23C)C1(C)CCC(=O)OC| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.74 |
| AlogP: | 7.89 | Num_rotatable_bonds: | 9 |
| MolWt: | 484.72 | Num_heavy_atoms: | 35 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
