Glycoside
GD000917
Name:
NoneFormula:
C22H24O9Smiles:
O=C(O)CCC(=O)c1ccc(-c2ccccc2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1Aglycone:
O=C(O)CCC(=O)c1ccc(-c2ccccc2O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.36 |
| AlogP: | 0.58 | Num_rotatable_bonds: | 8 |
| MolWt: | 432.43 | Num_heavy_atoms: | 31 |
| TPSA: | 153.75 | NumAromaticRings: | 2 |
Unique Aglycone
AD00961
Formula: C16H14O4
Smiles:
O=C(O)CCC(=O)c1ccc(-c2ccccc2O)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 3.11 | Num_rotatable_bonds: | 5 |
| MolWt: | 270.28 | Num_heavy_atoms: | 20 |
| TPSA: | 74.6 | NumAromaticRings: | 2 |
