Glycoside
GD013169
Name:
NoneFormula:
C20H19O5N2ClS2Smiles:
OC[C@@H]1O[C@H](c2ccc(Cl)c(Cc3nnc(-c4cccs4)s3)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Clc1ccccc1Cc1nnc(-c2cccs2)s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.37 |
| AlogP: | 2.03 | Num_rotatable_bonds: | 5 |
| MolWt: | 454.96 | Num_heavy_atoms: | 29 |
| TPSA: | 115.93 | NumAromaticRings: | 3 |
Unique Aglycone
AD09864
Formula: C14H9N2ClS2
Smiles:
Clc1ccccc1Cc1nnc(-c2cccs2)s1| HBA: | 2 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.08 |
| AlogP: | 4.51 | Num_rotatable_bonds: | 3 |
| MolWt: | 292.82 | Num_heavy_atoms: | 18 |
| TPSA: | 25.78 | NumAromaticRings: | 3 |
