Glycoside
GD110937
Name:
NoneFormula:
C30H36O8Smiles:
C=C(c1ccc(C(=O)O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)CAglycone:
C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)CSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | 3.45 | Num_rotatable_bonds: | 5 |
| MolWt: | 524.61 | Num_heavy_atoms: | 38 |
| TPSA: | 133.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD44681
Formula: C24H28O2
Smiles:
C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C| HBA: | 2 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.38 |
| AlogP: | 6.1 | Num_rotatable_bonds: | 3 |
| MolWt: | 348.49 | Num_heavy_atoms: | 26 |
| TPSA: | 37.3 | NumAromaticRings: | 2 |
