Glycoside
GD027291
Name:
NoneFormula:
C24H30O16N10P2S2Smiles:
Nc1ncnc2c1ncn2[C@H]1O[C@@H](COP(O)(=S)OC(C(=O)O)C(OP(O)(=S)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)C(=O)O)[C@H](O)[C@H]1OAglycone:
CO[PH](O)=S.CO[PH](O)=S.Nc1ncnc2c1N=C[N]2.Nc1ncnc2c1N=C[N]2Sugarmoiety:
O=C(O)OC(OO)C(=O)O.OC1OC(O)C(O)C1O.OOCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 26 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.5 |
| AlogP: | -3.52 | Num_rotatable_bonds: | 15 |
| MolWt: | 840.64 | Num_heavy_atoms: | 54 |
| TPSA: | 390.6 | 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 |
AD17951
Formula: CH5O2PS
Smiles:
CO[PH](O)=S| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.13 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.46 | NumAromaticRings: | 0 |
