Glycoside
GD014530
Name:
NoneFormula:
C15H20O6N6Smiles:
O=[N+]([O-])OC[C@@H]1O[C@H](n2cnc3c(N4CCCCC4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2N2CCCCC2)[N]1.CO[N+](=O)[O-]Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | -0.36 | Num_rotatable_bonds: | 5 |
| MolWt: | 380.36 | Num_heavy_atoms: | 27 |
| TPSA: | 148.9 | NumAromaticRings: | 2 |
Unique Aglycone
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 |
AD10668
Formula: C10H12N5
Smiles:
C1=Nc2c(ncnc2N2CCCCC2)[N]1| HBA: | 5 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.5 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 202.24 | Num_heavy_atoms: | 15 |
| TPSA: | 55.48 | NumAromaticRings: | 1 |
