Glycoside
GD032219
Name:
EPOXYGAERTNEROSIDEFormula:
C26H28O14Smiles:
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]1O[C@H]1[C@@]21C=C(C(O)c2ccc(O)cc2)C(=O)O1Aglycone:
COC(=O)C1=COC(O)C2C1C1OC1C21C=C(C(O)c2ccc(O)cc2)C(=O)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.54 |
| AlogP: | -2.11 | Num_rotatable_bonds: | 6 |
| MolWt: | 564.5 | Num_heavy_atoms: | 40 |
| TPSA: | 214.2 | NumAromaticRings: | 1 |
Unique Aglycone
AD20687
Formula: C20H18O9
Smiles:
COC(=O)C1=COC(O)C2C1C1OC1C21C=C(C(O)c2ccc(O)cc2)C(=O)O1| HBA: | 9 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 3 |
| MolWt: | 402.36 | Num_heavy_atoms: | 29 |
| TPSA: | 135.05 | NumAromaticRings: | 1 |
