Glycoside
GD031933
Name:
2,3-bis(4-methylbenzoyloxy)butanedioic acidFormula:
C20H18O8Smiles:
Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)C(=O)O)cc1Aglycone:
Cc1ccc(C=O)cc1.Cc1ccc(C=O)cc1Sugarmoiety:
O=C(O)C(OO)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 7 |
| MolWt: | 386.36 | Num_heavy_atoms: | 28 |
| TPSA: | 127.2 | NumAromaticRings: | 2 |
Unique Aglycone
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 |
