Glycoside
GD085415
Name:
2-hydroxy-6-(2-phenylethenyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acidFormula:
C21H22O9Smiles:
O=C(O)c1c(O)cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1/C=C/c1ccccc1Aglycone:
O=C(O)c1c(O)cc(O)cc1C=Cc1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.29 |
| AlogP: | 0.44 | Num_rotatable_bonds: | 6 |
| MolWt: | 418.4 | Num_heavy_atoms: | 30 |
| TPSA: | 156.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD38149
Formula: C15H12O4
Smiles:
O=C(O)c1c(O)cc(O)cc1C=Cc1ccccc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.97 | Num_rotatable_bonds: | 3 |
| MolWt: | 256.26 | Num_heavy_atoms: | 19 |
| TPSA: | 77.76 | NumAromaticRings: | 2 |
