Glycoside
GD028557
Name:
NoneFormula:
C17H20O6N6S2Smiles:
Cc1ccccc1Sc1nn([C@@H]2O[C@H](COS(N)(=O)=O)[C@H](O)[C@H]2O)c2ncnc(N)c12Aglycone:
COS(N)(=O)=O.Cc1ccccc1SC1=N[N]c2ncnc(N)c21Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | -0.29 | Num_rotatable_bonds: | 6 |
| MolWt: | 468.52 | Num_heavy_atoms: | 31 |
| TPSA: | 188.7 | NumAromaticRings: | 3 |
Unique Aglycone
AD00036
Formula: CH5O3NS
Smiles:
COS(N)(=O)=O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -1.16 | Num_rotatable_bonds: | 1 |
| MolWt: | 111.12 | Num_heavy_atoms: | 6 |
| TPSA: | 69.39 | NumAromaticRings: | 0 |
AD18643
Formula: C12H10N5S
Smiles:
Cc1ccccc1SC1=N[N]c2ncnc(N)c21| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 1 |
| MolWt: | 256.31 | Num_heavy_atoms: | 18 |
| TPSA: | 78.26 | NumAromaticRings: | 2 |
