Glycoside
GD002566
Name:
NoneFormula:
C23H16O4N2Cl4SSmiles:
OC[C@@H]1OC(n2c(SCc3ccc(Cl)c(Cl)c3)nc3cc(Cl)c(Cl)cc32)[C@H](O)[C@H]1OAglycone:
Clc1ccc(CSC2=Nc3cc(Cl)c(Cl)cc3[N]2)cc1ClSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.32 |
| AlogP: | 4.55 | Num_rotatable_bonds: | 5 |
| MolWt: | 510.23 | Num_heavy_atoms: | 30 |
| TPSA: | 87.74 | NumAromaticRings: | 3 |
Unique Aglycone
AD02437
Formula: C18H7N2Cl4S
Smiles:
Clc1ccc(CSC2=Nc3cc(Cl)c(Cl)cc3[N]2)cc1Cl| HBA: | 2 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.07 |
| AlogP: | 6.47 | Num_rotatable_bonds: | 2 |
| MolWt: | 377.1 | Num_heavy_atoms: | 21 |
| TPSA: | 26.46 | NumAromaticRings: | 2 |
