Glycoside
GD035238
Name:
GAERTNERIC ACIDFormula:
C25H26O13Smiles:
O=C(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]1C=C[C@@]21C=C(C(O)c2ccc(O)cc2)C(=O)O1Aglycone:
O=C(O)C1=COC(O)C2C1C=CC21C=C(C(O)c2ccc(O)cc2)C(=O)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.44 |
| AlogP: | -1.41 | Num_rotatable_bonds: | 6 |
| MolWt: | 534.47 | Num_heavy_atoms: | 38 |
| TPSA: | 212.67 | NumAromaticRings: | 1 |
Unique Aglycone
AD22312
Formula: C19H16O8
Smiles:
O=C(O)C1=COC(O)C2C1C=CC21C=C(C(O)c2ccc(O)cc2)C(=O)O1| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.26 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 3 |
| MolWt: | 372.33 | Num_heavy_atoms: | 27 |
| TPSA: | 133.52 | NumAromaticRings: | 1 |
