Glycoside
GD061305
Name:
NoneFormula:
C15H18O7N2Smiles:
COc1ccc(Cc2nnc([C@H]3O[C@@H](O)[C@H](O)[C@@H](O)[C@H]3O)o2)cc1Aglycone:
COc1ccc(Cc2nnco2)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | -0.86 | Num_rotatable_bonds: | 4 |
| MolWt: | 338.32 | Num_heavy_atoms: | 24 |
| TPSA: | 138.3 | NumAromaticRings: | 2 |
Unique Aglycone
AD28768
Formula: C10H10O2N2
Smiles:
COc1ccc(Cc2nnco2)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.2 |
| AlogP: | 1.67 | Num_rotatable_bonds: | 3 |
| MolWt: | 190.2 | Num_heavy_atoms: | 14 |
| TPSA: | 48.15 | NumAromaticRings: | 2 |
