Glycoside
GD023675
Name:
NoneFormula:
C17H16O4N2Cl2SSmiles:
C=CCSc1nc2cc(Cl)c(Cl)cc2n1C1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
C=CCSC1=Nc2cc(Cl)c(Cl)cc2[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 2.23 | Num_rotatable_bonds: | 5 |
| MolWt: | 391.28 | Num_heavy_atoms: | 24 |
| TPSA: | 87.74 | NumAromaticRings: | 2 |
Unique Aglycone
AD15901
Formula: C12H7N2Cl2S
Smiles:
C=CCSC1=Nc2cc(Cl)c(Cl)cc2[N]1| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.1 |
| AlogP: | 4.15 | Num_rotatable_bonds: | 2 |
| MolWt: | 258.15 | Num_heavy_atoms: | 15 |
| TPSA: | 26.46 | NumAromaticRings: | 1 |
