Glycoside
GD027465
Name:
NoneFormula:
C19H22O4N6Smiles:
CNC(=O)[C@@H]1O[C@H](n2cnc3c(NCc4cccc(C)c4)ncnc32)[C@H](O)[C@H]1OAglycone:
Cc1cccc(CNc2ncnc3c2N=C[N]3)c1Sugarmoiety:
CNC(=O)C1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.37 |
| AlogP: | 0.11 | Num_rotatable_bonds: | 5 |
| MolWt: | 398.42 | Num_heavy_atoms: | 29 |
| TPSA: | 134.42 | NumAromaticRings: | 3 |
Unique Aglycone
AD15126
Formula: C13H12N5
Smiles:
Cc1cccc(CNc2ncnc3c2N=C[N]3)c1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 2.31 | Num_rotatable_bonds: | 3 |
| MolWt: | 238.27 | Num_heavy_atoms: | 18 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
