Glycoside
GD035811
Name:
NoneFormula:
C11H19O13N6P3Smiles:
C[n+]1cn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)NP(=O)(O)O)[C@H](O)[C@H]2O)c2nc(N)nc([O-])c21Aglycone:
COP(=O)(O)OP(=O)(O)NP(=O)(O)O.C[N+]1=C[N]c2nc(N)nc([O-])c21Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.55 |
| AlogP: | -3.55 | Num_rotatable_bonds: | 8 |
| MolWt: | 536.22 | Num_heavy_atoms: | 33 |
| TPSA: | 295.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD00256
Formula: CH8O9NP3
Smiles:
COP(=O)(O)OP(=O)(O)NP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | -0.47 | Num_rotatable_bonds: | 5 |
| MolWt: | 270.99 | Num_heavy_atoms: | 14 |
| TPSA: | 162.62 | NumAromaticRings: | 0 |
AD03635
Formula: C6H6ON5
Smiles:
C[N+]1=C[N]c2nc(N)nc([O-])c21| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | -1.32 | Num_rotatable_bonds: | 0 |
| MolWt: | 164.15 | Num_heavy_atoms: | 12 |
| TPSA: | 91.97 | NumAromaticRings: | 1 |
