Glycoside
GD018141
Name:
NoneFormula:
C18H18O8N4Smiles:
CCc1ccc2occ(-c3nnnn3[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]3O)c(=O)c2c1Aglycone:
CCc1ccc2occ(C3=NN=N[N]3)c(=O)c2c1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.39 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 4 |
| MolWt: | 418.36 | Num_heavy_atoms: | 30 |
| TPSA: | 181.03 | NumAromaticRings: | 3 |
Unique Aglycone
AD09620
Formula: C12H9O2N4
Smiles:
CCc1ccc2occ(C3=NN=N[N]3)c(=O)c2c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.17 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 2 |
| MolWt: | 241.23 | Num_heavy_atoms: | 18 |
| TPSA: | 81.39 | NumAromaticRings: | 2 |
