Glycoside
GD076216
Name:
NoneFormula:
C12H18O8N4SSmiles:
Cc1nc(N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)cnc1C#NAglycone:
COS(O)(O)O.Cc1nc(N)cnc1C#NSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.58 |
| AlogP: | -0.97 | Num_rotatable_bonds: | 5 |
| MolWt: | 378.36 | Num_heavy_atoms: | 25 |
| TPSA: | 201.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD12993
Formula: CH6O4S
Smiles:
COS(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 1 |
| MolWt: | 114.12 | Num_heavy_atoms: | 6 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
AD25234
Formula: C6H6N4
Smiles:
Cc1nc(N)cnc1C#N| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 0.24 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.14 | Num_heavy_atoms: | 10 |
| TPSA: | 75.59 | NumAromaticRings: | 1 |
