Glycoside
GD004543
Name:
NoneFormula:
C24H23O10ClSmiles:
CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)OC1O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 1.16 | Num_rotatable_bonds: | 7 |
| MolWt: | 494.88 | Num_heavy_atoms: | 34 |
| TPSA: | 159.82 | NumAromaticRings: | 2 |
Unique Aglycone
AD03953
Formula: C18H15O4Cl
Smiles:
CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)O| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 3.81 | Num_rotatable_bonds: | 5 |
| MolWt: | 318.76 | Num_heavy_atoms: | 22 |
| TPSA: | 63.6 | NumAromaticRings: | 2 |
