Glycoside
GD063829
Name:
NoneFormula:
C11H20O8N4SSmiles:
Cc1nnc(N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)nc1CAglycone:
COS(O)(O)O.Cc1nnc(N)nc1CSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.73 |
| AlogP: | -1.14 | Num_rotatable_bonds: | 5 |
| MolWt: | 368.37 | Num_heavy_atoms: | 24 |
| TPSA: | 190.54 | 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 |
AD30703
Formula: C5H8N4
Smiles:
Cc1nnc(N)nc1C| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 0 |
| MolWt: | 124.15 | Num_heavy_atoms: | 9 |
| TPSA: | 64.69 | NumAromaticRings: | 1 |
