Glycoside
GD037027
Name:
NoneFormula:
C17H22O6N6Smiles:
O=[N+]([O-])OC[C@@H]1O[C@H](n2cnc3c(NC4CC5CCC4C5)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2NC2CC3CCC2C3)[N]1.CO[N+](=O)[O-]Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.71 |
| AlogP: | 0.25 | Num_rotatable_bonds: | 6 |
| MolWt: | 406.4 | Num_heavy_atoms: | 29 |
| TPSA: | 157.69 | NumAromaticRings: | 2 |
Unique Aglycone
AD00439
Formula: C12H14N5
Smiles:
C1=Nc2c(ncnc2NC2CC3CCC2C3)[N]1| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.58 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 2 |
| MolWt: | 228.28 | Num_heavy_atoms: | 17 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
AD09658
Formula: CH3O3N
Smiles:
CO[N+](=O)[O-]| HBA: | 4 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | -0.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 77.04 | Num_heavy_atoms: | 5 |
| TPSA: | 52.37 | NumAromaticRings: | 0 |
