Glycoside
GD028995
Name:
NoneFormula:
C17H18O5N6Smiles:
C[C@@H]1O[C@H](n2cnc3c(NCc4ccc([N+](=O)[O-])cc4)ncnc32)[C@H](O)[C@H]1OAglycone:
O=[N+]([O-])c1ccc(CNc2ncnc3c2N=C[N]3)cc1Sugarmoiety:
CC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.35 |
| AlogP: | 0.99 | Num_rotatable_bonds: | 5 |
| MolWt: | 386.37 | Num_heavy_atoms: | 28 |
| TPSA: | 148.46 | NumAromaticRings: | 3 |
Unique Aglycone
AD00952
Formula: C12H9O2N6
Smiles:
O=[N+]([O-])c1ccc(CNc2ncnc3c2N=C[N]3)cc1| HBA: | 8 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 1.91 | Num_rotatable_bonds: | 4 |
| MolWt: | 269.24 | Num_heavy_atoms: | 20 |
| TPSA: | 107.41 | NumAromaticRings: | 2 |
