Glycoside
GD002324
Name:
NoneFormula:
C20H27O14N10P3S2Smiles:
Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO[P@](=O)(S)OP(=O)(O)O[P@](=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)OP(=O)(O)OP(=O)(S)OC.Nc1ncnc2c1N=C[N]2.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.5 |
| AlogP: | -0.69 | Num_rotatable_bonds: | 12 |
| MolWt: | 788.55 | Num_heavy_atoms: | 49 |
| TPSA: | 346.98 | NumAromaticRings: | 4 |
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 |
AD02229
Formula: C2H9O8P3S2
Smiles:
COP(=O)(S)OP(=O)(O)OP(=O)(S)OC| HBA: | 8 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 2.49 | Num_rotatable_bonds: | 6 |
| MolWt: | 318.14 | Num_heavy_atoms: | 15 |
| TPSA: | 108.36 | NumAromaticRings: | 0 |
