Glycoside
GD028886
Name:
NoneFormula:
C31H32O11Smiles:
COc1ccc2ccc(OCC(COc3ccc4ccc(C(=O)O)cc4c3)O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2c1Aglycone:
COc1ccc2ccc(OCC(O)COc3ccc4ccc(C(=O)O)cc4c3)cc2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | 2.34 | Num_rotatable_bonds: | 11 |
| MolWt: | 580.59 | Num_heavy_atoms: | 42 |
| TPSA: | 164.37 | NumAromaticRings: | 4 |
Unique Aglycone
AD18833
Formula: C25H22O6
Smiles:
COc1ccc2ccc(OCC(O)COc3ccc4ccc(C(=O)O)cc4c3)cc2c1| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.16 |
| AlogP: | 4.52 | Num_rotatable_bonds: | 8 |
| MolWt: | 418.45 | Num_heavy_atoms: | 31 |
| TPSA: | 85.22 | NumAromaticRings: | 4 |
