Glycoside
GD097291
Name:
NoneFormula:
C19H26O8N4SSmiles:
COc1cc(C)c(S(=O)(=O)Nc2c(C(N)=O)ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(C)c1CAglycone:
COc1cc(C)c(S(=O)(=O)NC2=C(C(N)=O)N=C[N]2)c(C)c1CSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.47 |
| AlogP: | -0.67 | Num_rotatable_bonds: | 7 |
| MolWt: | 470.5 | Num_heavy_atoms: | 32 |
| TPSA: | 186.23 | NumAromaticRings: | 2 |
Unique Aglycone
AD41361
Formula: C14H17O4N4S
Smiles:
COc1cc(C)c(S(=O)(=O)NC2=C(C(N)=O)N=C[N]2)c(C)c1C| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 0.2 | Num_rotatable_bonds: | 5 |
| MolWt: | 337.38 | Num_heavy_atoms: | 23 |
| TPSA: | 124.95 | NumAromaticRings: | 1 |
