Glycoside
GD029572
Name:
NoneFormula:
C29H24O7N5F3Smiles:
NC1=NC(c2cccc(-c3cncn3O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]3O)c2)(c2ccnc(C(F)F)c2)c2cccc(F)c21Aglycone:
NC1=NC(c2cccc(-c3cncn3O)c2)(c2ccnc(C(F)F)c2)c2cccc(F)c21Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.24 |
| AlogP: | 1.35 | Num_rotatable_bonds: | 7 |
| MolWt: | 611.53 | Num_heavy_atoms: | 44 |
| TPSA: | 185.54 | NumAromaticRings: | 4 |
Unique Aglycone
AD19226
Formula: C23H16ON5F3
Smiles:
NC1=NC(c2cccc(-c3cncn3O)c2)(c2ccnc(C(F)F)c2)c2cccc(F)c21| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.09 |
| AlogP: | 4.27 | Num_rotatable_bonds: | 4 |
| MolWt: | 435.41 | Num_heavy_atoms: | 32 |
| TPSA: | 89.32 | NumAromaticRings: | 4 |
