Glycoside
GD100852
Name:
NoneFormula:
C19H23O6N5S2Smiles:
COc1ccc(S(=O)(=O)Nc2ncnc3c2ncn3[C@@H]2O[C@H](CSC)[C@@H](O)[C@H]2O)c(C)c1Aglycone:
COc1ccc(S(=O)(=O)Nc2ncnc3c2N=C[N]3)c(C)c1Sugarmoiety:
CSCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.42 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 7 |
| MolWt: | 481.56 | Num_heavy_atoms: | 32 |
| TPSA: | 148.69 | NumAromaticRings: | 3 |
Unique Aglycone
AD42607
Formula: C13H12O3N5S
Smiles:
COc1ccc(S(=O)(=O)Nc2ncnc3c2N=C[N]3)c(C)c1| HBA: | 8 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 4 |
| MolWt: | 318.34 | Num_heavy_atoms: | 22 |
| TPSA: | 107.64 | NumAromaticRings: | 2 |
