Glycoside
GD100688
Name:
NoneFormula:
C18H18O6N5BrSmiles:
Cc1ccc(C(=O)O)cc1Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
Cc1ccc(C(=O)O)cc1Nc1ncnc2c1N=C(Br)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 0.95 | Num_rotatable_bonds: | 5 |
| MolWt: | 480.28 | Num_heavy_atoms: | 30 |
| TPSA: | 162.85 | NumAromaticRings: | 3 |
Unique Aglycone
AD42512
Formula: C13H9O2N5Br
Smiles:
Cc1ccc(C(=O)O)cc1Nc1ncnc2c1N=C(Br)[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 2.86 | Num_rotatable_bonds: | 3 |
| MolWt: | 347.15 | Num_heavy_atoms: | 21 |
| TPSA: | 101.57 | NumAromaticRings: | 2 |
