Glycoside
GD019023
Name:
NoneFormula:
C18H17O6N2ClSBr2Smiles:
O=C(N[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)c1sc(-c2ccc(Cl)cc2)nc1C(Br)BrAglycone:
NC(=O)c1sc(-c2ccc(Cl)cc2)nc1C(Br)BrSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 5 |
| MolWt: | 572.66 | Num_heavy_atoms: | 29 |
| TPSA: | 132.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD13329
Formula: C12H7ON2ClSBr2
Smiles:
NC(=O)c1sc(-c2ccc(Cl)cc2)nc1C(Br)Br| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.09 |
| AlogP: | 4.35 | Num_rotatable_bonds: | 3 |
| MolWt: | 410.52 | Num_heavy_atoms: | 18 |
| TPSA: | 55.98 | NumAromaticRings: | 2 |
