Glycoside
GD016482
Name:
NoneFormula:
C42H54O24N20P4S4Smiles:
Nc1ncnc2c1ncn2[C@H]1O[C@@H](COP(O)(=S)OC(COP(O)(=S)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)(OP(O)(=S)OC[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)OP(O)(=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)OCC(OP(O)(=S)OC)(OP(O)(=S)OC)OP(O)(=S)OC.Nc1ncnc2c1N=C[N]2.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)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 44 | RingCount: | 12 |
| HBD: | 20 | FractionCSP3: | 0.52 |
| AlogP: | -5.19 | Num_rotatable_bonds: | 25 |
| MolWt: | 1475.17 | Num_heavy_atoms: | 94 |
| TPSA: | 632.0 | NumAromaticRings: | 8 |
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 |
AD11854
Formula: C6H18O12P4S4
Smiles:
COP(O)(=S)OCC(OP(O)(=S)OC)(OP(O)(=S)OC)OP(O)(=S)OC| HBA: | 12 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 1.16 | Num_rotatable_bonds: | 13 |
| MolWt: | 534.36 | Num_heavy_atoms: | 26 |
| TPSA: | 154.76 | NumAromaticRings: | 0 |
