Glycoside
GD029635
Name:
NoneFormula:
C14H21O9N6PSSmiles:
C[S+]([O-])(CCC(=O)O)=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-])CCC(=O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.57 |
| AlogP: | -1.28 | Num_rotatable_bonds: | 8 |
| MolWt: | 480.4 | Num_heavy_atoms: | 31 |
| TPSA: | 238.56 | 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 |
AD19260
Formula: C5H12O6NPS
Smiles:
COP(=O)(O)N=[S+](C)([O-])CCC(=O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 5 |
| MolWt: | 245.19 | Num_heavy_atoms: | 14 |
| TPSA: | 119.25 | NumAromaticRings: | 0 |
