Glycoside
GD030177
Name:
NoneFormula:
C40H52O31N20P6Smiles:
Nc1ncnc2ncn([C@@H]3O[C@H](COP(=O)(O)O[C@@H]4[C@H](O)[C@H](COP(=O)(O)O[C@@H]5[C@H](O)[C@H](COP(=O)(O)O[C@@H]6[C@H](O)[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]6n6cnc7ncnc(N)c76)O[C@H]5n5cnc6ncnc(N)c65)O[C@H]4n4cnc5ncnc(N)c54)[C@H](O)[C@H]3O)c12Aglycone:
COP(=O)(O)O.COP(=O)(O)O.COP(=O)(O)O.COP(=O)(O)OP(=O)(O)OP(=O)(O)O.Nc1ncnc2c1[N]C=N2.Nc1ncnc2c1[N]C=N2.Nc1ncnc2c1[N]C=N2.Nc1ncnc2c1[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 51 | RingCount: | 12 |
| HBD: | 20 | FractionCSP3: | 0.5 |
| AlogP: | -4.08 | Num_rotatable_bonds: | 26 |
| MolWt: | 1494.81 | Num_heavy_atoms: | 97 |
| TPSA: | 743.65 | NumAromaticRings: | 8 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD00534
Formula: CH7O10P3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 271.98 | Num_heavy_atoms: | 14 |
| TPSA: | 159.82 | NumAromaticRings: | 0 |
AD08370
Formula: C5H4N5
Smiles:
Nc1ncnc2c1[N]C=N2| 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 |
