Glycoside
GD101930
Name:
NoneFormula:
C16H17O7N2SBrSmiles:
O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)c1cnc(Br)o1Aglycone:
O=C(Nc1ccc(S)cc1)c1cnc(Br)o1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 0.58 | Num_rotatable_bonds: | 5 |
| MolWt: | 461.29 | Num_heavy_atoms: | 27 |
| TPSA: | 145.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD43152
Formula: C10H7O2N2SBr
Smiles:
O=C(Nc1ccc(S)cc1)c1cnc(Br)o1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.98 | Num_rotatable_bonds: | 2 |
| MolWt: | 299.15 | Num_heavy_atoms: | 16 |
| TPSA: | 55.13 | NumAromaticRings: | 2 |
