Glycoside
GD012457
Name:
NoneFormula:
C18H21O10N6PSmiles:
C[n+]1cn([C@@H]2O[C@H](COP(=O)([O-])O)[C@H](O)[C@H]2O)c2nc(NCc3ccc([N+](=O)[O-])cc3)[nH]c(=O)c21Aglycone:
COP(=O)([O-])O.C[N+]1=C[N]c2nc(NCc3ccc([N+](=O)[O-])cc3)[nH]c(=O)c21Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | -1.83 | Num_rotatable_bonds: | 8 |
| MolWt: | 512.37 | Num_heavy_atoms: | 35 |
| TPSA: | 229.01 | NumAromaticRings: | 3 |
Unique Aglycone
AD00397
Formula: CH4O4P
Smiles:
COP(=O)([O-])O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.91 | Num_rotatable_bonds: | 1 |
| MolWt: | 111.01 | Num_heavy_atoms: | 6 |
| TPSA: | 69.59 | NumAromaticRings: | 0 |
AD09392
Formula: C13H12O3N6
Smiles:
C[N+]1=C[N]c2nc(NCc3ccc([N+](=O)[O-])cc3)[nH]c(=O)c21| HBA: | 9 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.15 |
| AlogP: | 0.84 | Num_rotatable_bonds: | 4 |
| MolWt: | 300.28 | Num_heavy_atoms: | 22 |
| TPSA: | 118.03 | NumAromaticRings: | 2 |
