Glycoside
GD031224
Name:
NoneFormula:
C17H17O5NClSBrSmiles:
OC[C@@H]1O[C@H](c2nc(Br)c(Cc3ccc(Cl)cc3)s2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Clc1ccc(Cc2scnc2Br)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | 1.66 | Num_rotatable_bonds: | 4 |
| MolWt: | 450.74 | Num_heavy_atoms: | 25 |
| TPSA: | 103.04 | NumAromaticRings: | 2 |
Unique Aglycone
AD20130
Formula: C11H7NClSBr
Smiles:
Clc1ccc(Cc2scnc2Br)cc1| HBA: | 1 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.1 |
| AlogP: | 4.15 | Num_rotatable_bonds: | 2 |
| MolWt: | 288.6 | Num_heavy_atoms: | 14 |
| TPSA: | 12.89 | NumAromaticRings: | 2 |
