Glycoside
GD087206
Name:
NoneFormula:
C13H15O9N3Cl2SSmiles:
O=C(N[C@H]1[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O)c1ncnc(Cl)c1ClAglycone:
COS(O)(O)O.NC(=O)c1ncnc(Cl)c1ClSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.55 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 5 |
| MolWt: | 436.23 | Num_heavy_atoms: | 26 |
| TPSA: | 194.72 | 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 |
AD31145
Formula: C7H3ON3Cl2
Smiles:
NC(=O)c1ncnc(Cl)c1Cl| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 1 |
| MolWt: | 192.0 | Num_heavy_atoms: | 11 |
| TPSA: | 68.87 | NumAromaticRings: | 1 |
