Glycoside
GD082717
Name:
NoneFormula:
C16H17O7N5SSmiles:
N#Cc1ccc(S(=O)(=O)Nc2c(C(N)=O)ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1Aglycone:
N#Cc1ccc(S(=O)(=O)NC2=C(C(N)=O)N=C[N]2)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.31 |
| AlogP: | -1.73 | Num_rotatable_bonds: | 6 |
| MolWt: | 423.41 | Num_heavy_atoms: | 29 |
| TPSA: | 200.79 | NumAromaticRings: | 2 |
Unique Aglycone
AD37102
Formula: C11H8O3N5S
Smiles:
N#Cc1ccc(S(=O)(=O)NC2=C(C(N)=O)N=C[N]2)cc1| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.86 | Num_rotatable_bonds: | 4 |
| MolWt: | 290.28 | Num_heavy_atoms: | 20 |
| TPSA: | 139.51 | NumAromaticRings: | 1 |
