Glycoside
GD008086
Name:
NoneFormula:
C18H15O5N2Cl3Smiles:
CON=Cc1c(Cl)n(C2O[C@H](CO)[C@H](O)[C@H]2O)c2cc(Cl)c(Cl)cc12Aglycone:
CON=Cc1c(Cl)[nH]c2cc(Cl)c(Cl)cc12Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 2.19 | Num_rotatable_bonds: | 4 |
| MolWt: | 409.65 | Num_heavy_atoms: | 25 |
| TPSA: | 96.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD06505
Formula: C13H7ON2Cl3
Smiles:
CON=Cc1c(Cl)[nH]c2cc(Cl)c(Cl)cc12| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 4.11 | Num_rotatable_bonds: | 2 |
| MolWt: | 277.54 | Num_heavy_atoms: | 16 |
| TPSA: | 37.38 | NumAromaticRings: | 2 |
