Glycoside
GD108543
Name:
NoneFormula:
C20H33O17N6P3Smiles:
COc1cc([C@H](C)O[PH](O)(O)O[PH](O)(O)O[PH](O)(O)OC[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@@H](O)[C@H]2O)c([N+](=O)[O-])cc1OCAglycone:
COc1cc(C(C)O[PH](O)(O)O[PH](O)(O)O[PH](O)(O)OC)c([N+](=O)[O-])cc1OC.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.45 |
| AlogP: | -1.04 | Num_rotatable_bonds: | 14 |
| MolWt: | 722.43 | Num_heavy_atoms: | 46 |
| TPSA: | 339.21 | NumAromaticRings: | 3 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD44444
Formula: C11H24O14NP3
Smiles:
COc1cc(C(C)O[PH](O)(O)O[PH](O)(O)O[PH](O)(O)OC)c([N+](=O)[O-])cc1OC| HBA: | 15 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.45 |
| AlogP: | 0.55 | Num_rotatable_bonds: | 11 |
| MolWt: | 487.23 | Num_heavy_atoms: | 29 |
| TPSA: | 219.9 | NumAromaticRings: | 1 |
