Glycoside
GD005052
Name:
NoneFormula:
C20H14O5NCl3Smiles:
OC[C@@H]1OC(n2c(Cl)c(-c3ccco3)c3cc(Cl)c(Cl)cc32)[C@H](O)[C@H]1OAglycone:
Clc1cc2[nH]c(Cl)c(-c3ccco3)c2cc1ClSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 3.47 | Num_rotatable_bonds: | 3 |
| MolWt: | 418.66 | Num_heavy_atoms: | 26 |
| TPSA: | 87.99 | NumAromaticRings: | 3 |
Unique Aglycone
AD04328
Formula: C15H6ONCl3
Smiles:
Clc1cc2[nH]c(Cl)c(-c3ccco3)c2cc1Cl| HBA: | 2 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 5.39 | Num_rotatable_bonds: | 1 |
| MolWt: | 286.55 | Num_heavy_atoms: | 17 |
| TPSA: | 28.93 | NumAromaticRings: | 3 |
