Glycoside
GD031556
Name:
NoneFormula:
C48H52O23Smiles:
COc1cc(C=CC(=O)OC[C@@H]2O[C@@](CO)(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](OC(=O)C=Cc3ccc(OC(C)=O)c(OC)c3)[C@H]2OC(=O)C=Cc2ccc(OC(C)=O)c(OC)c2)ccc1OC(C)=OAglycone:
COC(=O)C=Cc1ccc(OC(C)=O)c(OC)c1.COc1cc(C=CC(=O)O)ccc1OC(C)=O.COc1cc(C=CC(=O)O)ccc1OC(C)=OSugarmoiety:
OCC1OC(OC2(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 20 |
| MolWt: | 996.92 | Num_heavy_atoms: | 71 |
| TPSA: | 314.33 | NumAromaticRings: | 3 |
Unique Aglycone
AD08886
Formula: C13H14O5
Smiles:
COC(=O)C=Cc1ccc(OC(C)=O)c(OC)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.23 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 4 |
| MolWt: | 250.25 | Num_heavy_atoms: | 18 |
| TPSA: | 61.83 | NumAromaticRings: | 1 |
AD08887
Formula: C12H12O5
Smiles:
COc1cc(C=CC(=O)O)ccc1OC(C)=O| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 1.72 | Num_rotatable_bonds: | 4 |
| MolWt: | 236.22 | Num_heavy_atoms: | 17 |
| TPSA: | 72.83 | NumAromaticRings: | 1 |
