Glycoside
GD103850
Name:
NoneFormula:
C20H28O8N4SSmiles:
CC(C)(C)COS(=O)(=O)c1ccc(Nc2c(C(N)=O)ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1Aglycone:
CC(C)(C)COS(=O)(=O)c1ccc(NC2=C(C(N)=O)N=C[N]2)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 8 |
| MolWt: | 484.53 | Num_heavy_atoms: | 33 |
| TPSA: | 186.23 | NumAromaticRings: | 2 |
Unique Aglycone
AD43903
Formula: C15H19O4N4S
Smiles:
CC(C)(C)COS(=O)(=O)c1ccc(NC2=C(C(N)=O)N=C[N]2)cc1| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 1.15 | Num_rotatable_bonds: | 6 |
| MolWt: | 351.41 | Num_heavy_atoms: | 24 |
| TPSA: | 124.95 | NumAromaticRings: | 1 |
