Glycoside
GD004850
Name:
NoneFormula:
C13H11O4N2ClBr2Smiles:
OC[C@@H]1OC(n2c(Cl)nc3cc(Br)c(Br)cc32)[C@H](O)[C@H]1OAglycone:
ClC1=Nc2cc(Br)c(Br)cc2[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.42 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 2 |
| MolWt: | 442.49 | Num_heavy_atoms: | 21 |
| TPSA: | 87.74 | NumAromaticRings: | 2 |
Unique Aglycone
AD04185
Formula: C8H2N2ClBr2
Smiles:
ClC1=Nc2cc(Br)c(Br)cc2[N]1| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 3.69 | Num_rotatable_bonds: | 0 |
| MolWt: | 309.37 | Num_heavy_atoms: | 12 |
| TPSA: | 26.46 | NumAromaticRings: | 1 |
