Glycoside
GD091081
Name:
NoneFormula:
C15H18O4N7BrSmiles:
OC[C@H]1O[C@@H](n2cnc3c(NCCn4cc(Br)cn4)ncnc32)[C@H](O)[C@@H]1OAglycone:
Brc1cnn(CCNc2ncnc3c2N=C[N]3)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | -0.49 | Num_rotatable_bonds: | 6 |
| MolWt: | 440.26 | Num_heavy_atoms: | 27 |
| TPSA: | 143.37 | NumAromaticRings: | 3 |
Unique Aglycone
AD39694
Formula: C10H9N7Br
Smiles:
Brc1cnn(CCNc2ncnc3c2N=C[N]3)c1| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 1.46 | Num_rotatable_bonds: | 4 |
| MolWt: | 307.13 | Num_heavy_atoms: | 18 |
| TPSA: | 82.09 | NumAromaticRings: | 2 |
