Glycoside
GD011513
Name:
NoneFormula:
C16H14O4N3ClSSmiles:
OC[C@@H]1O[C@H](n2cc(Cl)c3c(-c4cccs4)ncnc32)[C@H](O)[C@H]1OAglycone:
ClC1=C[N]c2ncnc(-c3cccs3)c21Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 1.42 | Num_rotatable_bonds: | 3 |
| MolWt: | 367.81 | Num_heavy_atoms: | 24 |
| TPSA: | 100.63 | NumAromaticRings: | 3 |
Unique Aglycone
AD08793
Formula: C11H5N3ClS
Smiles:
ClC1=C[N]c2ncnc(-c3cccs3)c21| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 2.99 | Num_rotatable_bonds: | 1 |
| MolWt: | 234.69 | Num_heavy_atoms: | 15 |
| TPSA: | 39.88 | NumAromaticRings: | 2 |
