Glycoside
GD095923
Name:
NoneFormula:
C18H18O7N5BrSmiles:
O=C(COc1ccc(Br)cc1)Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
O=C(COc1ccc(Br)cc1)Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | -0.49 | Num_rotatable_bonds: | 6 |
| MolWt: | 496.27 | Num_heavy_atoms: | 31 |
| TPSA: | 171.82 | NumAromaticRings: | 3 |
Unique Aglycone
AD40836
Formula: C13H9O3N5Br
Smiles:
O=C(COc1ccc(Br)cc1)Nc1nc2c(c(=O)[nH]1)N=C[N]2| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 1.46 | Num_rotatable_bonds: | 4 |
| MolWt: | 363.15 | Num_heavy_atoms: | 22 |
| TPSA: | 110.54 | NumAromaticRings: | 2 |
