Glycoside
GD007126
Name:
NoneFormula:
C13H22O7N7PSSmiles:
C[S+]([O-])(CCN)=NP(=O)(O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)N=[S+](C)([O-])CCN.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.62 |
| AlogP: | -1.8 | Num_rotatable_bonds: | 7 |
| MolWt: | 451.4 | Num_heavy_atoms: | 29 |
| TPSA: | 227.28 | NumAromaticRings: | 2 |
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 |
AD05825
Formula: C4H13O4N2PS
Smiles:
COP(=O)(O)N=[S+](C)([O-])CCN| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.21 | Num_rotatable_bonds: | 4 |
| MolWt: | 216.2 | Num_heavy_atoms: | 12 |
| TPSA: | 107.97 | NumAromaticRings: | 0 |
