Glycoside
GD119487
Name:
Pumilaside BFormula:
C21H36O7Smiles:
CC1(O)CCC(OC2OC(CO)C(O)C(O)C2O)C2(C)CCC3C(C12)C3(C)CAglycone:
CC1(O)CCC(O)C2(C)CCC3C(C12)C3(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 0.4 | Num_rotatable_bonds: | 3 |
| MolWt: | 400.51 | Num_heavy_atoms: | 28 |
| TPSA: | 119.61 | NumAromaticRings: | 0 |
Unique Aglycone
AD47879
Formula: C15H26O2
Smiles:
CC1(O)CCC(O)C2(C)CCC3C(C12)C3(C)C| HBA: | 2 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 0 |
| MolWt: | 238.37 | Num_heavy_atoms: | 17 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
