Glycoside
GD009141
Name:
NoneFormula:
C36H38O12Smiles:
COc1cccc(COc2ccc(C(=O)c3c(OCc4cccc(OC)c4)cc(OC)cc3O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)c1Aglycone:
COc1cccc(COc2ccc(C(=O)c3c(O)cc(OC)cc3OCc3cccc(OC)c3)cc2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.31 |
| AlogP: | 3.28 | Num_rotatable_bonds: | 14 |
| MolWt: | 662.69 | Num_heavy_atoms: | 48 |
| TPSA: | 162.6 | NumAromaticRings: | 4 |
Unique Aglycone
AD07199
Formula: C30H28O7
Smiles:
COc1cccc(COc2ccc(C(=O)c3c(O)cc(OC)cc3OCc3cccc(OC)c3)cc2)c1| HBA: | 7 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 5.81 | Num_rotatable_bonds: | 11 |
| MolWt: | 500.55 | Num_heavy_atoms: | 37 |
| TPSA: | 83.45 | NumAromaticRings: | 4 |
