Glycoside
GD036079
Name:
EngeletinFormula:
C21H22O10Smiles:
C[C@@H]1O[C@H](O[C@@H]2C(=O)c3c(O)cc(O)cc3O[C@H]2c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | 0.33 | Num_rotatable_bonds: | 3 |
| MolWt: | 434.4 | Num_heavy_atoms: | 31 |
| TPSA: | 166.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD04886
Formula: C15H12O6
Smiles:
O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.13 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 1 |
| MolWt: | 288.25 | Num_heavy_atoms: | 21 |
| TPSA: | 107.22 | NumAromaticRings: | 2 |
