Glycoside
GD001840
Name:
NoneFormula:
C17H17O4N4SBrSmiles:
OC[C@@H]1O[C@H](n2cnc3c(SCc4cccc(Br)c4)ncnc32)[C@H](O)[C@H]1OAglycone:
Brc1cccc(CSc2ncnc3c2N=C[N]3)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.35 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 5 |
| MolWt: | 453.32 | Num_heavy_atoms: | 27 |
| TPSA: | 113.52 | NumAromaticRings: | 3 |
Unique Aglycone
AD01799
Formula: C12H8N4SBr
Smiles:
Brc1cccc(CSc2ncnc3c2N=C[N]3)c1| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.08 |
| AlogP: | 3.44 | Num_rotatable_bonds: | 3 |
| MolWt: | 320.19 | Num_heavy_atoms: | 18 |
| TPSA: | 52.24 | NumAromaticRings: | 2 |
