Glycoside
GD028249
Name:
AcetylbarlerinFormula:
C21H30O13Smiles:
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)OC(C)=OAglycone:
COC(=O)C1=COC(O)C2C1C(OC(C)=O)CC2(C)OC(C)=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.76 |
| AlogP: | -1.89 | Num_rotatable_bonds: | 6 |
| MolWt: | 490.46 | Num_heavy_atoms: | 34 |
| TPSA: | 187.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD18483
Formula: C15H20O8
Smiles:
COC(=O)C1=COC(O)C2C1C(OC(C)=O)CC2(C)OC(C)=O| HBA: | 8 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 3 |
| MolWt: | 328.32 | Num_heavy_atoms: | 23 |
| TPSA: | 108.36 | NumAromaticRings: | 0 |
