Glycoside
GD001190
Name:
NoneFormula:
C18H18O4N3SBrSmiles:
OC[C@@H]1O[C@H](n2ccc3c(SCc4ccc(Br)cc4)ncnc32)[C@H](O)[C@H]1OAglycone:
Brc1ccc(CSc2ncnc3c2C=C[N]3)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 2.1 | Num_rotatable_bonds: | 5 |
| MolWt: | 452.33 | Num_heavy_atoms: | 27 |
| TPSA: | 100.63 | NumAromaticRings: | 3 |
Unique Aglycone
AD01239
Formula: C13H9N3SBr
Smiles:
Brc1ccc(CSc2ncnc3c2C=C[N]3)cc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.08 |
| AlogP: | 3.75 | Num_rotatable_bonds: | 3 |
| MolWt: | 319.21 | Num_heavy_atoms: | 18 |
| TPSA: | 39.88 | NumAromaticRings: | 2 |
