Glycoside
GD094462
Name:
NoneFormula:
C18H22O9N4SSmiles:
COC(=O)c1ccc(C)c(S(=O)(=O)Nc2c(C(N)=O)ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1Aglycone:
COC(=O)c1ccc(C)c(S(=O)(=O)NC2=C(C(N)=O)N=C[N]2)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.39 |
| AlogP: | -1.51 | Num_rotatable_bonds: | 7 |
| MolWt: | 470.46 | Num_heavy_atoms: | 32 |
| TPSA: | 203.3 | NumAromaticRings: | 2 |
Unique Aglycone
AD40519
Formula: C13H13O5N4S
Smiles:
COC(=O)c1ccc(C)c(S(=O)(=O)NC2=C(C(N)=O)N=C[N]2)c1| HBA: | 9 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.15 |
| AlogP: | -0.64 | Num_rotatable_bonds: | 5 |
| MolWt: | 337.34 | Num_heavy_atoms: | 23 |
| TPSA: | 142.02 | NumAromaticRings: | 1 |
