Glycoside
GD079982
Name:
NoneFormula:
C12H15O8N3Cl2SSmiles:
O[C@@H]1[C@@H](COS(O)(O)O)O[C@H](O)[C@H](Nc2nnc(Cl)cc2Cl)[C@H]1OAglycone:
COS(O)(O)O.Nc1nnc(Cl)cc1ClSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.6 |
| AlogP: | 0.16 | Num_rotatable_bonds: | 5 |
| MolWt: | 408.22 | Num_heavy_atoms: | 24 |
| TPSA: | 177.65 | 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 |
AD27775
Formula: C6H3N3Cl2
Smiles:
Nc1nnc(Cl)cc1Cl| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 0 |
| MolWt: | 164.0 | Num_heavy_atoms: | 9 |
| TPSA: | 51.8 | NumAromaticRings: | 1 |
