Glycoside
GD022875
Name:
NoneFormula:
C28H32O9NFClSmiles:
O=C(CCC[N+]1(O[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]2O)CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1Aglycone:
O=C(CCC[N+]1(O)CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | 1.76 | Num_rotatable_bonds: | 9 |
| MolWt: | 569.0 | Num_heavy_atoms: | 39 |
| TPSA: | 153.75 | NumAromaticRings: | 2 |
Unique Aglycone
AD15452
Formula: C22H24O3NFCl
Smiles:
O=C(CCC[N+]1(O)CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | 4.33 | Num_rotatable_bonds: | 6 |
| MolWt: | 392.88 | Num_heavy_atoms: | 27 |
| TPSA: | 57.53 | NumAromaticRings: | 2 |
