Glycoside
GD004697
Name:
6-O-Acetylshanzhiside Methyl EsterFormula:
C19H28O12Smiles:
COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H]1[C@H](OC(C)=O)C[C@]2(C)OAglycone:
COC(=O)C1=COC(O)C2C1C(OC(C)=O)CC2(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.79 |
| AlogP: | -2.47 | Num_rotatable_bonds: | 5 |
| MolWt: | 448.42 | Num_heavy_atoms: | 31 |
| TPSA: | 181.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD04067
Formula: C13H18O7
Smiles:
COC(=O)C1=COC(O)C2C1C(OC(C)=O)CC2(C)O| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.69 |
| AlogP: | -0.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 286.28 | Num_heavy_atoms: | 20 |
| TPSA: | 102.29 | NumAromaticRings: | 0 |
