Glycoside
GD109514
Name:
NoneFormula:
C28H32O8NFClSmiles:
O=C(CCC[NH+]1CCC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1Aglycone:
O=C(CCC[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 9 |
| MolWt: | 553.0 | Num_heavy_atoms: | 38 |
| TPSA: | 137.96 | NumAromaticRings: | 2 |
Unique Aglycone
AD44546
Formula: C22H24O2NFCl
Smiles:
O=C(CCC[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | 3.01 | Num_rotatable_bonds: | 6 |
| MolWt: | 376.88 | Num_heavy_atoms: | 26 |
| TPSA: | 41.74 | NumAromaticRings: | 2 |
