Glycoside
GD096641
Name:
NoneFormula:
C14H16O8N2F2Cl2SSmiles:
O[C@@H]1[C@@H](COS(O)(O)O)O[C@@H](O)[C@H](NC(F)(F)c2ccnc(Cl)c2Cl)[C@H]1OAglycone:
COS(O)(O)O.NC(F)(F)c1ccnc(Cl)c1ClSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.58 |
| AlogP: | 0.99 | Num_rotatable_bonds: | 6 |
| MolWt: | 457.24 | Num_heavy_atoms: | 27 |
| TPSA: | 164.76 | 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 |
AD41087
Formula: C8H4N2F2Cl2
Smiles:
NC(F)(F)c1ccnc(Cl)c1Cl| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 2.4 | Num_rotatable_bonds: | 1 |
| MolWt: | 213.01 | Num_heavy_atoms: | 12 |
| TPSA: | 38.91 | NumAromaticRings: | 1 |
