Glycoside
GD081341
Name:
NoneFormula:
C20H22O6N3FSmiles:
O=C(C(=O)N1CCc2ncnc(-c3ccc(F)cc3)c2CC1)[C@H](O)[C@H](O)[C@H](O)COAglycone:
Fc1ccc(-c2ncnc3c2CCNCC3)cc1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | -1.15 | Num_rotatable_bonds: | 6 |
| MolWt: | 419.41 | Num_heavy_atoms: | 30 |
| TPSA: | 144.08 | NumAromaticRings: | 2 |
Unique Aglycone
AD36652
Formula: C14H14N3F
Smiles:
Fc1ccc(-c2ncnc3c2CCNCC3)cc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.29 |
| AlogP: | 1.97 | Num_rotatable_bonds: | 1 |
| MolWt: | 243.28 | Num_heavy_atoms: | 18 |
| TPSA: | 37.81 | NumAromaticRings: | 2 |
