Glycoside
GD121402
Name:
AralidiosideFormula:
C18H24O13Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(C(=O)OC)CC(=O)C12OAglycone:
COC(=O)C1=COC(O)C2C(C(=O)OC)CC(=O)C12OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.72 |
| AlogP: | -3.67 | Num_rotatable_bonds: | 5 |
| MolWt: | 448.38 | Num_heavy_atoms: | 31 |
| TPSA: | 198.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD48865
Formula: C12H14O8
Smiles:
COC(=O)C1=COC(O)C2C(C(=O)OC)CC(=O)C12O| HBA: | 8 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.58 |
| AlogP: | -1.5 | Num_rotatable_bonds: | 2 |
| MolWt: | 286.24 | Num_heavy_atoms: | 20 |
| TPSA: | 119.36 | NumAromaticRings: | 0 |
