Glycoside
GD004728
Name:
NoneFormula:
C23H26O13N4SSmiles:
COC(=O)[C@@H]1O[C@H](n2cc(COC(=O)c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
NS(=O)(=O)c1ccc(C(=O)OCC2=C[N]N=N2)cc1Sugarmoiety:
COC(=O)C1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.43 |
| AlogP: | -0.85 | Num_rotatable_bonds: | 9 |
| MolWt: | 598.54 | Num_heavy_atoms: | 41 |
| TPSA: | 231.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD00701
Formula: C10H9O4N4S
Smiles:
NS(=O)(=O)c1ccc(C(=O)OCC2=C[N]N=N2)cc1| HBA: | 8 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 0.32 | Num_rotatable_bonds: | 4 |
| MolWt: | 281.27 | Num_heavy_atoms: | 19 |
| TPSA: | 125.28 | NumAromaticRings: | 1 |
