Glycoside
GD014457
Name:
NoneFormula:
C17H13O5N2Cl3Smiles:
OC[C@@H]1OC(n2c(Cl)c(C=NO)c3cc(Cl)c(Cl)cc32)[C@H](O)[C@H]1OAglycone:
ON=Cc1c(Cl)[nH]c2cc(Cl)c(Cl)cc12Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.36 |
| AlogP: | 2.02 | Num_rotatable_bonds: | 3 |
| MolWt: | 395.63 | Num_heavy_atoms: | 24 |
| TPSA: | 107.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD10626
Formula: C12H5ON2Cl3
Smiles:
ON=Cc1c(Cl)[nH]c2cc(Cl)c(Cl)cc12| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 3.94 | Num_rotatable_bonds: | 1 |
| MolWt: | 263.51 | Num_heavy_atoms: | 15 |
| TPSA: | 48.38 | NumAromaticRings: | 2 |
