Glycoside
GD021561
Name:
NoneFormula:
C22H22O4N4Smiles:
C[C@]1(O)[C@H](O)[C@H](CO)O[C@H]1n1cc(-c2cccc3ccccc23)c2c(N)ncnc21Aglycone:
Nc1ncnc2c1C(c1cccc3ccccc13)=C[N]2Sugarmoiety:
CC1(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.27 |
| AlogP: | 1.84 | Num_rotatable_bonds: | 3 |
| MolWt: | 406.44 | Num_heavy_atoms: | 30 |
| TPSA: | 126.65 | NumAromaticRings: | 4 |
Unique Aglycone
AD13708
Formula: C16H11N4
Smiles:
Nc1ncnc2c1C(c1cccc3ccccc13)=C[N]2| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.85 | Num_rotatable_bonds: | 1 |
| MolWt: | 259.29 | Num_heavy_atoms: | 20 |
| TPSA: | 65.9 | NumAromaticRings: | 3 |
