Glycoside
GD002736
Name:
NoneFormula:
C10H13O8N5S2Smiles:
Nc1nc(O)c2sc(=O)n(C3O[C@H](COS(N)(=O)=O)[C@H](O)[C@H]3O)c2n1Aglycone:
COS(N)(=O)=O.Nc1nc(O)c2sc(=O)[nH]c2n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -3.02 | Num_rotatable_bonds: | 4 |
| MolWt: | 395.38 | Num_heavy_atoms: | 25 |
| TPSA: | 213.11 | NumAromaticRings: | 2 |
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 |
AD02577
Formula: C5H4O2N4S
Smiles:
Nc1nc(O)c2sc(=O)[nH]c2n1| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 0 |
| MolWt: | 184.18 | Num_heavy_atoms: | 12 |
| TPSA: | 104.89 | NumAromaticRings: | 2 |
