Glycoside
GD078891
Name:
NoneFormula:
C20H18O8Smiles:
Cc1ccc(C(=O)O[C@@](C(=O)O)(C(=O)c2ccc(C)cc2)[C@H](O)C(=O)O)cc1Aglycone:
Cc1ccc(C=O)cc1.Cc1ccccc1Sugarmoiety:
O=CC(O)(C(=O)O)C(O)C(=O)OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.2 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 7 |
| MolWt: | 386.36 | Num_heavy_atoms: | 28 |
| TPSA: | 138.2 | NumAromaticRings: | 2 |
Unique Aglycone
AD00274
Formula: C7H8
Smiles:
Cc1ccccc1| HBA: | 0 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 0 |
| MolWt: | 92.14 | Num_heavy_atoms: | 7 |
| TPSA: | 0.0 | NumAromaticRings: | 1 |
AD01408
Formula: C8H8O
Smiles:
Cc1ccc(C=O)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 1 |
| MolWt: | 120.15 | Num_heavy_atoms: | 9 |
| TPSA: | 17.07 | NumAromaticRings: | 1 |
