Glycoside
GD004329
Name:
NoneFormula:
C27H25O12F3Smiles:
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(=O)CO)[C@H](OC1CC(O)C(O)C(C(F)(F)F)O1)C3Aglycone:
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)C(O)C3Sugarmoiety:
OC1CC(O)C(O)C(C(F)(F)F)O1Other Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | 0.06 | Num_rotatable_bonds: | 5 |
| MolWt: | 598.48 | Num_heavy_atoms: | 42 |
| TPSA: | 200.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD03797
Formula: C21H18O9
Smiles:
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)C(O)C3| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 3 |
| MolWt: | 414.37 | Num_heavy_atoms: | 30 |
| TPSA: | 161.59 | NumAromaticRings: | 2 |
