Glycoside

GD031525
Name:
NoneFormula:
C12H14O6N5BrSmiles:
O=c1[nH]c(=O)n(Cc2cn([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)nn2)cc1BrAglycone:
O=c1[nH]c(=O)n(CC2=C[N]N=N2)cc1BrSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
HBA: | 11 | RingCount: | 3 |
HBD: | 4 | FractionCSP3: | 0.5 |
AlogP: | -2.45 | Num_rotatable_bonds: | 4 |
MolWt: | 404.18 | Num_heavy_atoms: | 24 |
TPSA: | 155.49 | NumAromaticRings: | 2 |
Unique Aglycone
AD20301
Formula: C7H5O2N5Br
Smiles:
O=c1[nH]c(=O)n(CC2=C[N]N=N2)cc1BrHBA: | 7 | RingCount: | 2 |
HBD: | 1 | FractionCSP3: | 0.14 |
AlogP: | 0.13 | Num_rotatable_bonds: | 2 |
MolWt: | 271.05 | Num_heavy_atoms: | 15 |
TPSA: | 93.68 | NumAromaticRings: | 1 |