Glycoside
GD021226
Name:
NoneFormula:
C18H20O10N5PSSmiles:
O=[N+]([O-])c1ccc(CCSc2nc3c(O)ncnc3n2C2O[C@H](COP(=O)(O)O)[C@H](O)[C@H]2O)cc1Aglycone:
COP(=O)(O)O.O=[N+]([O-])c1ccc(CCSC2=Nc3c(O)ncnc3[N]2)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 9 |
| MolWt: | 529.42 | Num_heavy_atoms: | 35 |
| TPSA: | 223.42 | NumAromaticRings: | 3 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD14542
Formula: C13H10O3N5S
Smiles:
O=[N+]([O-])c1ccc(CCSC2=Nc3c(O)ncnc3[N]2)cc1| HBA: | 8 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 2.3 | Num_rotatable_bonds: | 4 |
| MolWt: | 316.32 | Num_heavy_atoms: | 22 |
| TPSA: | 115.61 | NumAromaticRings: | 2 |
