Glycoside
GD102533
Name:
NoneFormula:
C17H19O5N6SBrSmiles:
CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)n(C(=O)c3cc(Br)sc3C)c(=N)nc21Aglycone:
Cc1sc(Br)cc1C(=O)n1c(N)c2c(nc1=N)[N]C=N2Sugarmoiety:
COC1C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | 0.38 | Num_rotatable_bonds: | 4 |
| MolWt: | 499.35 | Num_heavy_atoms: | 30 |
| TPSA: | 161.5 | NumAromaticRings: | 3 |
Unique Aglycone
AD43400
Formula: C11H8ON6SBr
Smiles:
Cc1sc(Br)cc1C(=O)n1c(N)c2c(nc1=N)[N]C=N2| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.09 |
| AlogP: | 1.67 | Num_rotatable_bonds: | 1 |
| MolWt: | 352.2 | Num_heavy_atoms: | 20 |
| TPSA: | 111.22 | NumAromaticRings: | 2 |
