Glycoside
GD106002
Name:
NoneFormula:
C21H30O13N7P2SSmiles:
CO[P@@](=O)(O[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)O[PH](O)(O)OC[C@H]1O[C@@H]([n+]2cccc(C(N)=S)c2)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)O[PH](O)(O)OC.NC(=S)c1ccc[nH+]c1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.48 |
| AlogP: | -2.57 | Num_rotatable_bonds: | 11 |
| MolWt: | 682.52 | Num_heavy_atoms: | 44 |
| TPSA: | 293.35 | NumAromaticRings: | 3 |
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 |
AD00494
Formula: C6H7N2S
Smiles:
NC(=S)c1ccc[nH+]c1| HBA: | 2 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.13 | Num_rotatable_bonds: | 1 |
| MolWt: | 139.2 | Num_heavy_atoms: | 9 |
| TPSA: | 40.16 | NumAromaticRings: | 1 |
AD44087
Formula: C2H10O7P2
Smiles:
COP(=O)(O)O[PH](O)(O)OC| HBA: | 7 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.21 | Num_rotatable_bonds: | 4 |
| MolWt: | 208.04 | Num_heavy_atoms: | 11 |
| TPSA: | 105.45 | NumAromaticRings: | 0 |
