Glycoside
GD107597
Name:
NoneFormula:
C21H23O5N8BrSmiles:
CCCN1/C(=N/N=c2\[nH]c3c(N)ncnc3n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)c2cc(Br)ccc21Aglycone:
CCCN1C(=NN=C2[N]c3ncnc(N)c3N2)C(=O)c2cc(Br)ccc21Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | 0.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 547.37 | Num_heavy_atoms: | 35 |
| TPSA: | 187.47 | NumAromaticRings: | 3 |
Unique Aglycone
AD44328
Formula: C16H14ON8Br
Smiles:
CCCN1C(=NN=C2[N]c3ncnc(N)c3N2)C(=O)c2cc(Br)ccc21| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.19 |
| AlogP: | 2.27 | Num_rotatable_bonds: | 3 |
| MolWt: | 414.25 | Num_heavy_atoms: | 26 |
| TPSA: | 122.96 | NumAromaticRings: | 2 |
