Glycoside
GD022896
Name:
NoneFormula:
C18H19O7N6PSSmiles:
N#Cc1ccc(CSc2nc3c(N)ncnc3n2C2O[C@H](COP(=O)(O)O)[C@H](O)[C@H]2O)cc1Aglycone:
COP(=O)(O)O.N#Cc1ccc(CSC2=Nc3c(N)ncnc3[N]2)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | 0.3 | Num_rotatable_bonds: | 7 |
| MolWt: | 494.43 | Num_heavy_atoms: | 33 |
| TPSA: | 209.86 | 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 |
AD15466
Formula: C13H9N6S
Smiles:
N#Cc1ccc(CSC2=Nc3c(N)ncnc3[N]2)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 2.1 | Num_rotatable_bonds: | 2 |
| MolWt: | 281.32 | Num_heavy_atoms: | 20 |
| TPSA: | 102.05 | NumAromaticRings: | 2 |
