Glycoside
GD001923
Name:
NoneFormula:
C32H42O16N15P3S5Smiles:
Nc1ncnc2c1ncn2[C@H]1O[C@@H](COP(=S)(S)OCC(OP(O)(=S)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)OP(=S)(S)OC[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)[C@H](O)[C@H]1OAglycone:
COP(O)(=S)OC(COP(=S)(S)OC)OP(=S)(S)OC.Nc1ncnc2c1N=C[N]2.Nc1ncnc2c1N=C[N]2.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 31 | RingCount: | 9 |
| HBD: | 13 | FractionCSP3: | 0.53 |
| AlogP: | -1.94 | Num_rotatable_bonds: | 19 |
| MolWt: | 1146.03 | Num_heavy_atoms: | 71 |
| TPSA: | 433.54 | NumAromaticRings: | 6 |
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 |
AD01870
Formula: C5H15O7P3S5
Smiles:
COP(O)(=S)OC(COP(=S)(S)OC)OP(=S)(S)OC| HBA: | 7 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 2.83 | Num_rotatable_bonds: | 10 |
| MolWt: | 440.43 | Num_heavy_atoms: | 20 |
| TPSA: | 75.61 | NumAromaticRings: | 0 |
