Glycoside
GD140168
Name:
AlpigenosideFormula:
C18H28O12Smiles:
COC(=O)CC1C(C(=O)OC)=COC(OC2OC(CO)C(O)C(O)C2O)C1C(C)OAglycone:
COC(=O)CC1C(C(=O)OC)=COC(O)C1C(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.78 |
| AlogP: | -2.61 | Num_rotatable_bonds: | 7 |
| MolWt: | 436.41 | Num_heavy_atoms: | 30 |
| TPSA: | 181.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD56513
Formula: C12H18O7
Smiles:
COC(=O)CC1C(C(=O)OC)=COC(O)C1C(C)O| HBA: | 7 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | -0.43 | Num_rotatable_bonds: | 4 |
| MolWt: | 274.27 | Num_heavy_atoms: | 19 |
| TPSA: | 102.29 | NumAromaticRings: | 0 |
