Glycoside
GD100713
Name:
NoneFormula:
C21H27O6N5SSmiles:
CCC(C)(C)c1ccc(S(=O)(=O)Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1Aglycone:
CCC(C)(C)c1ccc(S(=O)(=O)Nc2ncnc3c2N=C[N]3)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.48 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 7 |
| MolWt: | 477.54 | Num_heavy_atoms: | 33 |
| TPSA: | 159.69 | NumAromaticRings: | 3 |
Unique Aglycone
AD42527
Formula: C16H18O2N5S
Smiles:
CCC(C)(C)c1ccc(S(=O)(=O)Nc2ncnc3c2N=C[N]3)cc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.31 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 5 |
| MolWt: | 344.42 | Num_heavy_atoms: | 24 |
| TPSA: | 98.41 | NumAromaticRings: | 2 |
