Glycoside
GD078889
Name:
NoneFormula:
C14H14O5N2ClBrSmiles:
N#Cc1c(Cl)cc(Br)cc1N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
N#Cc1c(N)cc(Br)cc1ClSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | 0.19 | Num_rotatable_bonds: | 3 |
| MolWt: | 393.62 | Num_heavy_atoms: | 22 |
| TPSA: | 125.97 | NumAromaticRings: | 1 |
Unique Aglycone
AD36246
Formula: C8H4N2ClBr
Smiles:
N#Cc1c(N)cc(Br)cc1Cl| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.56 | Num_rotatable_bonds: | 0 |
| MolWt: | 231.48 | Num_heavy_atoms: | 11 |
| TPSA: | 49.81 | NumAromaticRings: | 1 |
