Glycoside
GD032093
Name:
NoneFormula:
C32H33O11N3Cl2S3Smiles:
Cc1cc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)CSc4cc(Cl)ccc4Cl)[C@H]3SC2)cc(CCC(=O)O)[n+]1C[C@H](O)[C@H](O)[C@H](O)C(O)OAglycone:
Cc1cc(SCC2=C(C(=O)[O-])N3C(=O)C(NC(=O)CSc4cc(Cl)ccc4Cl)C3SC2)cc(CCC(=O)O)[n+]1CSugarmoiety:
OC(O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.43 |
| AlogP: | -0.71 | Num_rotatable_bonds: | 16 |
| MolWt: | 778.71 | Num_heavy_atoms: | 49 |
| TPSA: | 231.87 | NumAromaticRings: | 2 |
Unique Aglycone
AD20609
Formula: C28H25O6N3Cl2S3
Smiles:
Cc1cc(SCC2=C(C(=O)[O-])N3C(=O)C(NC(=O)CSc4cc(Cl)ccc4Cl)C3SC2)cc(CCC(=O)O)[n+]1C| HBA: | 9 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.35 |
| AlogP: | 2.43 | Num_rotatable_bonds: | 11 |
| MolWt: | 642.61 | Num_heavy_atoms: | 40 |
| TPSA: | 130.72 | NumAromaticRings: | 2 |
