Glycoside
GD016227
Name:
NoneFormula:
C16H21O6N5Smiles:
O=[N+]([O-])c1cc(NC2CCCC2)c2ncn([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c2n1Aglycone:
O=[N+]([O-])c1cc(NC2CCCC2)c2c(n1)[N]C=N2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 5 |
| MolWt: | 379.37 | Num_heavy_atoms: | 27 |
| TPSA: | 155.8 | NumAromaticRings: | 2 |
Unique Aglycone
AD11712
Formula: C11H12O2N5
Smiles:
O=[N+]([O-])c1cc(NC2CCCC2)c2c(n1)[N]C=N2| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.45 |
| AlogP: | 2.25 | Num_rotatable_bonds: | 3 |
| MolWt: | 246.25 | Num_heavy_atoms: | 18 |
| TPSA: | 94.52 | NumAromaticRings: | 1 |
