Glycoside
GD100685
Name:
NoneFormula:
C20H22O6N5ClSSmiles:
CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NS(=O)(=O)CCc3ccc(Cl)cc3)ncnc21Aglycone:
O=S(=O)(CCc1ccc(Cl)cc1)Nc1ncnc2c1N=C[N]2Sugarmoiety:
COC1C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.42 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 8 |
| MolWt: | 483.93 | Num_heavy_atoms: | 32 |
| TPSA: | 148.69 | NumAromaticRings: | 3 |
Unique Aglycone
AD42509
Formula: C14H11O2N5ClS
Smiles:
O=S(=O)(CCc1ccc(Cl)cc1)Nc1ncnc2c1N=C[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 2.02 | Num_rotatable_bonds: | 5 |
| MolWt: | 336.78 | Num_heavy_atoms: | 22 |
| TPSA: | 98.41 | NumAromaticRings: | 2 |
