Glycoside
GD006542
Name:
NoneFormula:
C27H28O11N4F2Smiles:
CCn1cc(C(=O)O)c(=O)c2cc(F)c(-n3cc(CO[C@@H]4O[C@H](C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]4OC(C)=O)nn3)c(F)c21Aglycone:
CCn1cc(C(=O)O)c(=O)c2cc(F)c(-n3cc(CO)nn3)c(F)c21Sugarmoiety:
CC(=O)OC1C(C)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.44 |
| AlogP: | 1.63 | Num_rotatable_bonds: | 9 |
| MolWt: | 622.53 | Num_heavy_atoms: | 44 |
| TPSA: | 187.37 | NumAromaticRings: | 3 |
Unique Aglycone
AD05404
Formula: C15H12O4N4F2
Smiles:
CCn1cc(C(=O)O)c(=O)c2cc(F)c(-n3cc(CO)nn3)c(F)c21| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 1.07 | Num_rotatable_bonds: | 4 |
| MolWt: | 350.28 | Num_heavy_atoms: | 25 |
| TPSA: | 110.24 | NumAromaticRings: | 3 |
