Glycoside
GD100909
Name:
NoneFormula:
C21H22O6N3BrSmiles:
COc1ccc(-c2nc(N[C@H]3[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)c3cc(Br)ccc3n2)cc1Aglycone:
COc1ccc(-c2nc(N)c3cc(Br)ccc3n2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 5 |
| MolWt: | 492.33 | Num_heavy_atoms: | 31 |
| TPSA: | 137.19 | NumAromaticRings: | 3 |
Unique Aglycone
AD42637
Formula: C15H12ON3Br
Smiles:
COc1ccc(-c2nc(N)c3cc(Br)ccc3n2)cc1| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 3.65 | Num_rotatable_bonds: | 2 |
| MolWt: | 330.19 | Num_heavy_atoms: | 20 |
| TPSA: | 61.03 | NumAromaticRings: | 3 |
