Glycoside
GD028555
Name:
NoneFormula:
C18H22O6N6S2Smiles:
Cc1ccc(CSc2nn([C@@H]3O[C@H](COS(N)(=O)=O)[C@H](O)[C@H]3O)c3ncnc(N)c23)cc1Aglycone:
COS(N)(=O)=O.Cc1ccc(CSC2=N[N]c3ncnc(N)c32)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.39 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 7 |
| MolWt: | 482.54 | Num_heavy_atoms: | 32 |
| 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 |
AD18642
Formula: C13H12N5S
Smiles:
Cc1ccc(CSC2=N[N]c3ncnc(N)c32)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.15 |
| AlogP: | 2.21 | Num_rotatable_bonds: | 2 |
| MolWt: | 270.34 | Num_heavy_atoms: | 19 |
| TPSA: | 78.26 | NumAromaticRings: | 2 |
