Glycoside
GD030581
Name:
NoneFormula:
C14H18O6N8S2Smiles:
Cn1cc(Sc2nn([C@@H]3O[C@H](COS(N)(=O)=O)[C@H](O)[C@H]3O)c3ncnc(N)c23)cn1Aglycone:
COS(N)(=O)=O.Cn1cc(SC2=N[N]c3ncnc(N)c32)cn1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.43 |
| AlogP: | -1.87 | Num_rotatable_bonds: | 6 |
| MolWt: | 458.48 | Num_heavy_atoms: | 30 |
| TPSA: | 206.52 | 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 |
AD19787
Formula: C9H8N7S
Smiles:
Cn1cc(SC2=N[N]c3ncnc(N)c32)cn1| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.11 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 246.28 | Num_heavy_atoms: | 17 |
| TPSA: | 96.08 | NumAromaticRings: | 2 |
