Glycoside
GD075422
Name:
NoneFormula:
C14H14O6N3ClSSmiles:
O=C(N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1cc2c(Cl)ncnc2s1Aglycone:
NC(=O)c1cc2c(Cl)ncnc2s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | -1.13 | Num_rotatable_bonds: | 3 |
| MolWt: | 375.79 | Num_heavy_atoms: | 24 |
| TPSA: | 145.03 | NumAromaticRings: | 2 |
Unique Aglycone
AD34935
Formula: C8H4ON3ClS
Smiles:
NC(=O)c1cc2c(Cl)ncnc2s1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.44 | Num_rotatable_bonds: | 1 |
| MolWt: | 213.65 | Num_heavy_atoms: | 13 |
| TPSA: | 68.87 | NumAromaticRings: | 2 |
