Glycoside
GD032592
Name:
NoneFormula:
C28H24O7N5FSmiles:
NC1=NC(c2ccncc2)(c2cccc(-c3cncn3O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]3O)c2)c2cccc(F)c21Aglycone:
NC1=NC(c2ccncc2)(c2cccc(-c3cncn3O)c2)c2cccc(F)c21Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.21 |
| AlogP: | 0.42 | Num_rotatable_bonds: | 6 |
| MolWt: | 561.53 | Num_heavy_atoms: | 41 |
| TPSA: | 185.54 | NumAromaticRings: | 4 |
Unique Aglycone
AD20883
Formula: C22H16ON5F
Smiles:
NC1=NC(c2ccncc2)(c2cccc(-c3cncn3O)c2)c2cccc(F)c21| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.05 |
| AlogP: | 3.33 | Num_rotatable_bonds: | 3 |
| MolWt: | 385.4 | Num_heavy_atoms: | 29 |
| TPSA: | 89.32 | NumAromaticRings: | 4 |
