Glycoside
GD022222
Name:
NoneFormula:
C27H34O9Smiles:
COc1cc(OC)c([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(OC)c1C(=O)C=Cc1ccc(C(C)C)cc1Aglycone:
COc1cc(OC)c(C(=O)C=Cc2ccc(C(C)C)cc2)c(OC)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | 2.25 | Num_rotatable_bonds: | 9 |
| MolWt: | 502.56 | Num_heavy_atoms: | 36 |
| TPSA: | 134.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD15093
Formula: C21H24O4
Smiles:
COc1cc(OC)c(C(=O)C=Cc2ccc(C(C)C)cc2)c(OC)c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.29 |
| AlogP: | 4.73 | Num_rotatable_bonds: | 7 |
| MolWt: | 340.42 | Num_heavy_atoms: | 25 |
| TPSA: | 44.76 | NumAromaticRings: | 2 |
