Glycoside
GD010540
Name:
NoneFormula:
C23H20O5N2Cl2SSmiles:
OC[C@@H]1O[C@H](c2ccc(Cl)c(Cc3nnc(-c4ccc(Cl)cc4)s3)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Clc1ccc(-c2nnc(Cc3ccccc3Cl)s2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 2.62 | Num_rotatable_bonds: | 5 |
| MolWt: | 483.37 | Num_heavy_atoms: | 31 |
| TPSA: | 115.93 | NumAromaticRings: | 3 |
Unique Aglycone
AD08127
Formula: C17H10N2Cl2S
Smiles:
Clc1ccc(-c2nnc(Cc3ccccc3Cl)s2)cc1| HBA: | 2 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.07 |
| AlogP: | 5.1 | Num_rotatable_bonds: | 3 |
| MolWt: | 321.23 | Num_heavy_atoms: | 20 |
| TPSA: | 25.78 | NumAromaticRings: | 3 |
