Glycoside
GD028812
Name:
NoneFormula:
C20H20O5N4Smiles:
C[C@@]1(CO)O[C@H](n2cc(-c3cc4ccccc4o3)c3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
Nc1ncnc2c1C(c1cc3ccccc3o1)=C[N]2Sugarmoiety:
CC1(CO)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 3 |
| MolWt: | 396.4 | Num_heavy_atoms: | 29 |
| TPSA: | 139.79 | NumAromaticRings: | 4 |
Unique Aglycone
AD08293
Formula: C14H9ON4
Smiles:
Nc1ncnc2c1C(c1cc3ccccc3o1)=C[N]2| HBA: | 5 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.44 | Num_rotatable_bonds: | 1 |
| MolWt: | 249.25 | Num_heavy_atoms: | 19 |
| TPSA: | 79.04 | NumAromaticRings: | 3 |
