Glycoside
GD013043
Name:
NoneFormula:
C26H27O11N3F2Smiles:
C[C@@H]1CCO[C@@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O[C@@H]4O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]4O)c3C(=O)N12Aglycone:
CC1CCOC2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N12Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | -1.08 | Num_rotatable_bonds: | 6 |
| MolWt: | 595.51 | Num_heavy_atoms: | 42 |
| TPSA: | 197.09 | NumAromaticRings: | 2 |
Unique Aglycone
AD09783
Formula: C20H19O5N3F2
Smiles:
CC1CCOC2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N12| HBA: | 8 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.35 |
| AlogP: | 1.35 | Num_rotatable_bonds: | 3 |
| MolWt: | 419.38 | Num_heavy_atoms: | 30 |
| TPSA: | 100.87 | NumAromaticRings: | 2 |
