Glycoside
GD101555
Name:
NoneFormula:
C18H19O6N2SBrSmiles:
O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1)c1cnccc1BrAglycone:
O=C(Nc1ccc(S)cc1)c1cnccc1BrSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 0.99 | Num_rotatable_bonds: | 5 |
| MolWt: | 471.33 | Num_heavy_atoms: | 28 |
| TPSA: | 132.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD42986
Formula: C12H9ON2SBr
Smiles:
O=C(Nc1ccc(S)cc1)c1cnccc1Br| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 3.39 | Num_rotatable_bonds: | 2 |
| MolWt: | 309.19 | Num_heavy_atoms: | 17 |
| TPSA: | 41.99 | NumAromaticRings: | 2 |
