Glycoside
GD107735
Name:
NoneFormula:
C20H19O9N5SSmiles:
Cc1ccc(S(=O)(=O)OC[C@H]2O[C@@H](n3cnc4c(NC=O)ncnc43)[C@@H](OC=O)[C@H]2OC=O)cc1Aglycone:
COS(=O)(=O)c1ccc(C)cc1.O=CNc1ncnc2c1N=C[N]2Sugarmoiety:
O=COC1C(O)OC(O)C1OC=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 11 |
| MolWt: | 505.47 | Num_heavy_atoms: | 35 |
| TPSA: | 177.9 | NumAromaticRings: | 3 |
Unique Aglycone
AD01798
Formula: C8H10O3S
Smiles:
COS(=O)(=O)c1ccc(C)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 2 |
| MolWt: | 186.23 | Num_heavy_atoms: | 12 |
| TPSA: | 43.37 | NumAromaticRings: | 1 |
AD44338
Formula: C6H4ON5
Smiles:
O=CNc1ncnc2c1N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 2 |
| MolWt: | 162.13 | Num_heavy_atoms: | 12 |
| TPSA: | 81.34 | NumAromaticRings: | 1 |
