Glycoside
GD010023
Name:
NoneFormula:
C20H17O5N2ClSSmiles:
O=C(Nc1ccc(Cl)cc1)c1ccc2sc([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)nc2c1Aglycone:
O=C(Nc1ccc(Cl)cc1)c1ccc2scnc2c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.26 |
| AlogP: | 2.36 | Num_rotatable_bonds: | 4 |
| MolWt: | 420.87 | Num_heavy_atoms: | 28 |
| TPSA: | 111.91 | NumAromaticRings: | 3 |
Unique Aglycone
AD07795
Formula: C15H9ON2ClS
Smiles:
O=C(Nc1ccc(Cl)cc1)c1ccc2scnc2c1| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 4.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 288.76 | Num_heavy_atoms: | 19 |
| TPSA: | 41.99 | NumAromaticRings: | 3 |
