Glycoside
GD102358
Name:
NoneFormula:
C17H18O6N3SBrSmiles:
O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)c1cncc(Br)n1Aglycone:
O=C(Nc1ccc(S)cc1)c1cncc(Br)n1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | 0.38 | Num_rotatable_bonds: | 5 |
| MolWt: | 472.32 | Num_heavy_atoms: | 28 |
| TPSA: | 145.03 | NumAromaticRings: | 2 |
Unique Aglycone
AD43319
Formula: C11H8ON3SBr
Smiles:
O=C(Nc1ccc(S)cc1)c1cncc(Br)n1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.78 | Num_rotatable_bonds: | 2 |
| MolWt: | 310.18 | Num_heavy_atoms: | 17 |
| TPSA: | 54.88 | NumAromaticRings: | 2 |
