Glycoside
GD133720
Name:
Pallidioside AFormula:
C36H60O10Smiles:
CC(CCC(=O)C(C)(C)O)C1C(O)CC2(C)C3C(OC4OC(CO)C(O)C(O)C4O)CC4C(C)(C)C(O)CCC45CC35CCC12CAglycone:
CC(CCC(=O)C(C)(C)O)C1C(O)CC2(C)C3C(O)CC4C(C)(C)C(O)CCC45CC35CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.97 |
| AlogP: | 2.31 | Num_rotatable_bonds: | 8 |
| MolWt: | 652.87 | Num_heavy_atoms: | 46 |
| TPSA: | 177.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD48100
Formula: C30H50O5
Smiles:
CC(CCC(=O)C(C)(C)O)C1C(O)CC2(C)C3C(O)CC4C(C)(C)C(O)CCC45CC35CCC12C| HBA: | 5 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.97 |
| AlogP: | 4.48 | Num_rotatable_bonds: | 5 |
| MolWt: | 490.73 | Num_heavy_atoms: | 35 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
