Glycoside
GD018380
Name:
NoneFormula:
C21H17O4N2Cl2SBrSmiles:
OC[C@@H]1OC(n2c(SCc3ccc(Br)cc3)nc3cc(Cl)c(Cl)cc32)[C@H](O)[C@H]1OAglycone:
Clc1cc2c(cc1Cl)N=C(SCc1ccc(Br)cc1)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.32 |
| AlogP: | 4.01 | Num_rotatable_bonds: | 5 |
| MolWt: | 520.23 | Num_heavy_atoms: | 29 |
| TPSA: | 87.74 | NumAromaticRings: | 3 |
Unique Aglycone
AD12979
Formula: C16H8N2Cl2SBr
Smiles:
Clc1cc2c(cc1Cl)N=C(SCc1ccc(Br)cc1)[N]2| HBA: | 2 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.07 |
| AlogP: | 5.93 | Num_rotatable_bonds: | 2 |
| MolWt: | 387.11 | Num_heavy_atoms: | 20 |
| TPSA: | 26.46 | NumAromaticRings: | 2 |
