Glycoside
GD002003
Name:
NoneFormula:
C21H18O5N2Cl2S2Smiles:
OC[C@@H]1O[C@H](c2ccc(Cl)c(Cc3nnc(-c4sccc4Cl)s3)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Clc1ccccc1Cc1nnc(-c2sccc2Cl)s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.37 |
| AlogP: | 2.68 | Num_rotatable_bonds: | 5 |
| MolWt: | 489.4 | Num_heavy_atoms: | 30 |
| TPSA: | 115.93 | NumAromaticRings: | 3 |
Unique Aglycone
AD01949
Formula: C15H8N2Cl2S2
Smiles:
Clc1ccccc1Cc1nnc(-c2sccc2Cl)s1| HBA: | 2 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.08 |
| AlogP: | 5.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 327.26 | Num_heavy_atoms: | 19 |
| TPSA: | 25.78 | NumAromaticRings: | 3 |
