Glycoside
GD024650
Name:
NoneFormula:
C30H39O13N3F3Smiles:
C[C@@H]1O[C@H](O[C@@H]2CCCC[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@H](Cn3cc(-c4cccc(C(F)(F)F)c4)nn3)C(=O)[O-])[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=C([O-])C(O)Cn1cc(-c2cccc(C(F)(F)F)c2)nn1.OC1CCCCC1OSugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.7 |
| AlogP: | -1.92 | Num_rotatable_bonds: | 11 |
| MolWt: | 706.64 | Num_heavy_atoms: | 49 |
| TPSA: | 238.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD00489
Formula: C6H12O2
Smiles:
OC1CCCCC1O| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 0 |
| MolWt: | 116.16 | Num_heavy_atoms: | 8 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
AD16428
Formula: C12H9O3N3F3
Smiles:
O=C([O-])C(O)Cn1cc(-c2cccc(C(F)(F)F)c2)nn1| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 4 |
| MolWt: | 300.22 | Num_heavy_atoms: | 21 |
| TPSA: | 91.07 | NumAromaticRings: | 2 |
