Glycoside
GD067968
Name:
NoneFormula:
C13H17O4N4BrSmiles:
CN(C)c1ncnc2c1c(Br)cn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1OAglycone:
CN(C)c1ncnc2c1C(Br)=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.54 |
| AlogP: | -0.13 | Num_rotatable_bonds: | 3 |
| MolWt: | 373.21 | Num_heavy_atoms: | 22 |
| TPSA: | 103.87 | NumAromaticRings: | 2 |
Unique Aglycone
AD03010
Formula: C8H8N4Br
Smiles:
CN(C)c1ncnc2c1C(Br)=C[N]2| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 1 |
| MolWt: | 240.08 | Num_heavy_atoms: | 13 |
| TPSA: | 43.12 | NumAromaticRings: | 1 |
