Glycoside
GD033281
Name:
NoneFormula:
C23H23O8FSmiles:
CC(=O)c1ccc(O[C@@H]2O[C@H](COC(=O)C=Cc3ccc(F)cc3)[C@H](O)[C@H](O)[C@H]2O)cc1Aglycone:
CC(=O)c1ccc(O)cc1.COC(=O)C=Cc1ccc(F)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.3 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 7 |
| MolWt: | 446.43 | Num_heavy_atoms: | 32 |
| TPSA: | 122.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD02845
Formula: C8H8O2
Smiles:
CC(=O)c1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD21260
Formula: C10H9O2F
Smiles:
COC(=O)C=Cc1ccc(F)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.1 |
| AlogP: | 2.01 | Num_rotatable_bonds: | 2 |
| MolWt: | 180.18 | Num_heavy_atoms: | 13 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
