Glycoside
GD099330
Name:
NoneFormula:
C20H19O7N5SSmiles:
C#CC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)c2ccc(C)cc2)[C@@H](O)[C@H]1OAglycone:
C#CC(=O)Nc1ncnc2c1N=C[N]2.COS(=O)(=O)c1ccc(C)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.3 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 6 |
| MolWt: | 473.47 | Num_heavy_atoms: | 33 |
| TPSA: | 165.76 | NumAromaticRings: | 3 |
Unique Aglycone
AD01798
Formula: C8H10O3S
Smiles:
COS(=O)(=O)c1ccc(C)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 2 |
| MolWt: | 186.23 | Num_heavy_atoms: | 12 |
| TPSA: | 43.37 | NumAromaticRings: | 1 |
AD42246
Formula: C8H4ON5
Smiles:
C#CC(=O)Nc1ncnc2c1N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 186.15 | Num_heavy_atoms: | 14 |
| TPSA: | 81.34 | NumAromaticRings: | 1 |
