Glycoside
GD088650
Name:
NoneFormula:
C17H23O7N5SSmiles:
CN(C)S(=O)(=O)c1cccc(Nc2c(C(N)=O)ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1Aglycone:
CN(C)S(=O)(=O)c1cccc(NC2=C(C(N)=O)N=C[N]2)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.41 |
| AlogP: | -1.41 | Num_rotatable_bonds: | 7 |
| MolWt: | 441.47 | Num_heavy_atoms: | 30 |
| TPSA: | 180.24 | NumAromaticRings: | 2 |
Unique Aglycone
AD38795
Formula: C12H14O3N5S
Smiles:
CN(C)S(=O)(=O)c1cccc(NC2=C(C(N)=O)N=C[N]2)c1| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | -0.35 | Num_rotatable_bonds: | 5 |
| MolWt: | 308.34 | Num_heavy_atoms: | 21 |
| TPSA: | 118.96 | NumAromaticRings: | 1 |
